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

C9H4ClF2N3 — CID 134669233

IUPAC3-chloro-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#CCc1cc(C(F)F)nc(C#N)c1Cl
InChIInChI=1S/C9H4ClF2N3/c10-8-5(1-2-13)3-6(9(11)12)15-7(8)4-14/h3,9H,1H2
InChIKeyHPXPBEIYEZLIOC-UHFFFAOYSA-N
MW227.60 g/mol
LogP2.61
Rot. Bonds2

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

3-chloro-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile (PubChem CID 134669233) has the molecular formula C9H4ClF2N3 and a molecular weight of 227.60 g/mol. Its IUPAC name is 3-chloro-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
PubChem CID134669233
Molecular FormulaC9H4ClF2N3
Molecular Weight227.60 g/mol
Exact Mass227.01
IUPAC Name3-chloro-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#CCc1cc(C(F)F)nc(C#N)c1Cl
InChIInChI=1S/C9H4ClF2N3/c10-8-5(1-2-13)3-6(9(11)12)15-7(8)4-14/h3,9H,1H2
InChIKeyHPXPBEIYEZLIOC-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-[3-chloro-6-(difluoromethyl)-2-methoxy-4-pyridinyl]acetonitrile
CID 134686354
2-[3-bromo-2-chloro-6-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130108171
4-chloro-2-(cyanomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile
CID 130071242
2-[2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 118999659
3-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130107774
2-[4-chloro-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile
CID 118845077
2-[6-(difluoromethyl)-2-fluoro-3-iodo-4-pyridinyl]acetonitrile
CID 130080144
3-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130108807
2-[2-chloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 119010061
2-[2-amino-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile
CID 118991220
4-(chloromethyl)-6-(difluoromethyl)-3-nitropyridine-2-carbonitrile
CID 130078657
2-[2-(aminomethyl)-6-(difluoromethyl)-3-iodo-4-pyridinyl]acetonitrile
CID 118842695

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile (CID 134669233) is 3-chloro-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile is N#CCc1cc(C(F)F)nc(C#N)c1Cl.
What is the InChIKey of 3-chloro-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile?
The InChIKey is HPXPBEIYEZLIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF2N3/c10-8-5(1-2-13)3-6(9(11)12)15-7(8)4-14/h3,9H,1H2.
What are the key properties of 3-chloro-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile?
3-chloro-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-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 3-chloro-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 134669233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).