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

C10H6ClF2N3 — CID 130079037

IUPAC6-(chloromethyl)-3-(cyanomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile
SMILESN#CCc1c(C#N)cc(CCl)nc1C(F)F
InChIInChI=1S/C10H6ClF2N3/c11-4-7-3-6(5-15)8(1-2-14)9(16-7)10(12)13/h3,10H,1,4H2
InChIKeyKPZAIDHVFNTVGN-UHFFFAOYSA-N
MW241.63 g/mol
LogP2.70
Rot. Bonds3

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

6-(chloromethyl)-3-(cyanomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile (PubChem CID 130079037) has the molecular formula C10H6ClF2N3 and a molecular weight of 241.63 g/mol. Its IUPAC name is 6-(chloromethyl)-3-(cyanomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name6-(chloromethyl)-3-(cyanomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile
PubChem CID130079037
Molecular FormulaC10H6ClF2N3
Molecular Weight241.63 g/mol
Exact Mass241.02
IUPAC Name6-(chloromethyl)-3-(cyanomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile
SMILESN#CCc1c(C#N)cc(CCl)nc1C(F)F
InChIInChI=1S/C10H6ClF2N3/c11-4-7-3-6(5-15)8(1-2-14)9(16-7)10(12)13/h3,10H,1,4H2
InChIKeyKPZAIDHVFNTVGN-UHFFFAOYSA-N
XLogP2.70
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.63
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[6-(chloromethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile
CID 130090366
2-[6-(chloromethyl)-4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 133106509
2-[6-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 118815641
2-[5-(chloromethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 133106523
2-[4-amino-5-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130107470
6-(chloromethyl)-4-cyano-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 130079169
2-[5-(aminomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 133106969
2-[4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130075176
6-(chloromethyl)-2-(cyanomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130079038
2-[4-chloro-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 130071882
2-[5-(bromomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 133106578
6-(chloromethyl)-3-(difluoromethyl)-2-(hydroxymethyl)pyridine-4-carbonitrile
CID 130079080

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-3-(cyanomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile?
The IUPAC name of 6-(chloromethyl)-3-(cyanomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile (CID 130079037) is 6-(chloromethyl)-3-(cyanomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile.
What is the SMILES notation for 6-(chloromethyl)-3-(cyanomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile?
The canonical SMILES for 6-(chloromethyl)-3-(cyanomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile is N#CCc1c(C#N)cc(CCl)nc1C(F)F.
What is the InChIKey of 6-(chloromethyl)-3-(cyanomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile?
The InChIKey is KPZAIDHVFNTVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF2N3/c11-4-7-3-6(5-15)8(1-2-14)9(16-7)10(12)13/h3,10H,1,4H2.
What are the key properties of 6-(chloromethyl)-3-(cyanomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile?
6-(chloromethyl)-3-(cyanomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile has a molecular weight of 241.63 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-3-(cyanomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile is sourced from PubChem (CID 130079037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).