2-Ethoxypyrimidine-5-carbaldehyde

CAT: 0127-OR1091818Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

312263-49-3

MDL Number

MFCD18821995

Smiles

N1c (ncc (c1) C=O) OCC

Chemical Information

2-Ethoxy-5-pyrimidinecarboxaldehyde

CAS Number	312263-49-3
PubChem CID	23435467
IUPAC Name	2-ethoxypyrimidine-5-carbaldehyde
Molecular Formula	C7H8N2O2
Molecular Weight	152.15
XLogP	0.3
Topological Polar Surface Area	52.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	122

SMILES

CCOC1=NC=C(C=N1)C=O

InChI

InChI=1S/C7H8N2O2/c1-2-11-7-8-3-6(5-10)4-9-7/h3-5H,2H2,1H3

InChIKey

NBVADWRNQAZAOK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 312263-49-3

CID: 23435467

Formula: C7H8N2O2

MW: 152.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	152.15
XLogP3	0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	152.058577502
Monoisotopic Mass	152.058577502
Topological Polar Surface Area	52.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	122
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
OR1021239	2-Bromo-5-ethoxypyrimidine
OR924684-01	2-Chloro-5-ethoxypyrimidine
OR15514-01	5-Bromo-2-ethoxypyrimidine
OR15522-01	2-Ethoxypyrimidine-5-boronic acid
OR525616-01	2,4-Dichloro-5-ethoxypyrimidine
OR1096597	2-Ethoxypyrimidine-5-carboxylic acid
OR86780-01	2,5-Dichloro-4-ethoxypyrimidine
OR94247	5-Bromo-2-chloro-4-ethoxypyrimidine
OR1065481-01	4-Chloro-2-ethoxypyrimidine
OR1036141-01	6-Ethoxypyridine-2-carbaldehyde

Catalog	Name
MMA26349-01	2-Ethoxypyrimidine-5-carbaldehyde
SAA75811	5-Bromo-2-ethoxypyrimidine
PBC38643-01	5-Chloro-2-ethoxypyrimidine
417548-01	2-Ethoxypyrimidine-5-boronic Acid
BEC76211-01	2,5-Dichloro-4-ethoxypyrimidine
FD143382-01	2,4-Dichloro-5-ethoxypyrimidine
PBC00572	5-bromo-2-chloro-4-ethoxypyrimidine
IDA77409-01	2-Chloro-4-ethoxypyrimidine
abx184993-01	2,4-Diamino-6-Ethoxypyrimidine
FGB80085-01	5-Phenylpyridine-2-carbaldehyde