4-Pyrimidinecarboxaldehyde

CAT: 0024-sc-280461Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-280461Size:250 mg

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CAS Number

2435-50-9

Chemical Information

Pyrimidine-4-carboxaldehyde

CAS Number	2435-50-9
PubChem CID	11412355
IUPAC Name	pyrimidine-4-carbaldehyde
Molecular Formula	C5H4N2O
Molecular Weight	108.10
XLogP	-0.7
Topological Polar Surface Area	42.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	84

SMILES

C1=CN=CN=C1C=O

InChI

InChI=1S/C5H4N2O/c8-3-5-1-2-6-4-7-5/h1-4H

InChIKey

OKULHRWWYCFJAB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2435-50-9

CID: 11412355

Formula: C5H4N2O

MW: 108.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	108.10
XLogP3	-0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	108.032362755
Monoisotopic Mass	108.032362755
Topological Polar Surface Area	42.9 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	84.5
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-254723	4-Pyridinecarboxaldehyde
sc-254723A	4-Pyridinecarboxaldehyde
sc-475666	2-Isopropyl-4-pyrimidinecarbaldehyde
sc-231521	3-Bromo-4-pyridinecarboxaldehyde
sc-283166A	2-Hydroxy-4-pyridinecarboxaldehyde
sc-231611	3-Chloro-4-pyridinecarboxaldehyde
sc-470348	2-Ethyl-4-pyrimidinecarbaldehyde
sc-225207	2-Bromo-4-pyridinecarboxaldehyde
sc-206044	2-Pyridinecarboxaldehyde 4-nitrophenylhydrazone
sc-283166	2-Hydroxy-4-pyridinecarboxaldehyde

Catalog	Name
FP09310-01	4-Pyrimidinecarboxaldehyde
420146-01	2,4-Dichloro-5-pyrimidinecarboxaldehyde
abx181760-01	2-Chloro-4-(methylamino)-5-Pyrimidinecarboxaldehyde
OR1039923-01	4-Amino-2-methyl-5-pyrimidinecarboxaldehyde
287682-01	2-Pyrimidinecarboxaldehyde
OR1021257	2-Chloro-4- (methylamino) -5-pyrimidinecarboxaldehyde
abx183758-01	5-Pyrimidinecarboxaldehyde,2,4,6-trichloro-
MBS6104820-01	4-Chloro-2,6-dimethoxy-5-pyrimidinecarboxaldehyde-13C
VIA11483-01	5-Methoxy-2-pyrimidinecarboxaldehyde
PC6412	4,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate