5-Cyanopyrimidine

CAT: 0024-sc-262592ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-262592ASize:5 g

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CAS Number

40805-79-6

Chemical Information

Pyrimidine-5-carbonitrile

CAS Number	40805-79-6
PubChem CID	10197646
IUPAC Name	pyrimidine-5-carbonitrile
Molecular Formula	C5H3N3
Molecular Weight	105.10
XLogP	-0.1
Topological Polar Surface Area	49.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	106

SMILES

C1=C(C=NC=N1)C#N

InChI

InChI=1S/C5H3N3/c6-1-5-2-7-4-8-3-5/h2-4H

InChIKey

XVIAPHVAGFEFFN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 40805-79-6

CID: 10197646

Formula: C5H3N3

MW: 105.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	105.10
XLogP3	-0.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	105.032697108
Monoisotopic Mass	105.032697108
Topological Polar Surface Area	49.6 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	106
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-259793A	2-Cyanopyrimidine-5-boronic acid pinacol ester
sc-259793	2-Cyanopyrimidine-5-boronic acid pinacol ester
sc-259745A	2-Chloro-4-cyanopyrimidine
sc-259745	2-Chloro-4-cyanopyrimidine
sc-318575A	5-Chloro-3-cyanopyridine
sc-206428	2-Chloro-5-cyanopyridine
sc-256086	2-Bromo-5-cyanopyridine
sc-256086A	2-Bromo-5-cyanopyridine
sc-216415	3-Bromo-5-cyanopyridine
sc-318575	5-Chloro-3-cyanopyridine

Catalog	Name
TRC-C982145-250MG	5-Cyanopyrimidine
435351-01	5-Bromo-2-cyanopyrimidine
270613-01	4-Chloro-5-cyanopyrimidine
OR1102517-01	2-Cyanopyrimidine-5-carboxylic acid
OR480750-01	2,4-Dichloro-5-cyanopyrimidine
FC09477-01	2-Cyanopyrimidine
abx182023-01	4,6-Dichloro-5-cyanopyrimidine
431996-01	4-Cyanopyrimidine
OR1022206	Methyl 2-cyanopyrimidine-5-carboxylate
OR471577	Ethyl 2-Cyanopyrimidine-5-carboxylate