4-chloro-2-(cyanomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile

C9H4ClF2N3 — CID 130071242

IUPAC4-chloro-2-(cyanomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#CCc1nc(C(F)F)cc(Cl)c1C#N
InChIInChI=1S/C9H4ClF2N3/c10-6-3-8(9(11)12)15-7(1-2-13)5(6)4-14/h3,9H,1H2
InChIKeyIJYXBRKBNWMKGW-UHFFFAOYSA-N
MW227.60 g/mol
LogP2.61
Rot. Bonds2

About 4-chloro-2-(cyanomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile

4-chloro-2-(cyanomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile (PubChem CID 130071242) has the molecular formula C9H4ClF2N3 and a molecular weight of 227.60 g/mol. Its IUPAC name is 4-chloro-2-(cyanomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-(cyanomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile
PubChem CID130071242
Molecular FormulaC9H4ClF2N3
Molecular Weight227.60 g/mol
Exact Mass227.01
IUPAC Name4-chloro-2-(cyanomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#CCc1nc(C(F)F)cc(Cl)c1C#N
InChIInChI=1S/C9H4ClF2N3/c10-6-3-8(9(11)12)15-7(1-2-13)5(6)4-14/h3,9H,1H2
InChIKeyIJYXBRKBNWMKGW-UHFFFAOYSA-N
XLogP2.61
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.60
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile
CID 118845077
4-chloro-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile
CID 118805015
6-chloro-2-(cyanomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130071234
3-chloro-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 134669233
6-(chloromethyl)-2-(cyanomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130079038
2-[3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile
CID 130090400
4-chloro-3-cyano-6-(difluoromethyl)pyridine-2-sulfonamide
CID 118810649
2-[4-amino-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 118834747
ethyl 4-chloro-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate
CID 134685877
2-[6-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 171029764
2-[4-(aminomethyl)-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetonitrile
CID 118806694
3-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130107774

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(cyanomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 4-chloro-2-(cyanomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile (CID 130071242) is 4-chloro-2-(cyanomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-chloro-2-(cyanomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 4-chloro-2-(cyanomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile is N#CCc1nc(C(F)F)cc(Cl)c1C#N.
What is the InChIKey of 4-chloro-2-(cyanomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile?
The InChIKey is IJYXBRKBNWMKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF2N3/c10-6-3-8(9(11)12)15-7(1-2-13)5(6)4-14/h3,9H,1H2.
What are the key properties of 4-chloro-2-(cyanomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile?
4-chloro-2-(cyanomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile has a molecular weight of 227.60 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyanomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 130071242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).