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

C9H4ClF2N3 — CID 130071234

IUPAC6-chloro-2-(cyanomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#CCc1nc(Cl)cc(C(F)F)c1C#N
InChIInChI=1S/C9H4ClF2N3/c10-8-3-5(9(11)12)6(4-14)7(15-8)1-2-13/h3,9H,1H2
InChIKeyQMNKYRPSWUNXOS-UHFFFAOYSA-N
MW227.60 g/mol
LogP2.61
Rot. Bonds2

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

6-chloro-2-(cyanomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile (PubChem CID 130071234) has the molecular formula C9H4ClF2N3 and a molecular weight of 227.60 g/mol. Its IUPAC name is 6-chloro-2-(cyanomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-2-(cyanomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
PubChem CID130071234
Molecular FormulaC9H4ClF2N3
Molecular Weight227.60 g/mol
Exact Mass227.01
IUPAC Name6-chloro-2-(cyanomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#CCc1nc(Cl)cc(C(F)F)c1C#N
InChIInChI=1S/C9H4ClF2N3/c10-8-3-5(9(11)12)6(4-14)7(15-8)1-2-13/h3,9H,1H2
InChIKeyQMNKYRPSWUNXOS-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-(chloromethyl)-2-(cyanomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130079038
6-chloro-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile
CID 130071247
4-chloro-2-(cyanomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile
CID 130071242
2-[6-chloro-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetonitrile
CID 130071857
2-[3-chloro-5-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134684089
2-[6-chloro-5-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 119012078
2-[6-chloro-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetonitrile
CID 118999391
2-[6-chloro-4-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile
CID 130073856
2-(cyanomethyl)-5-(difluoromethyl)-3-iodopyridine-4-carbonitrile
CID 130077493
ethyl 6-chloro-3-cyano-4-(difluoromethyl)pyridine-2-carboxylate
CID 134674106
6-chloro-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
CID 130070893
3-amino-2-(cyanomethyl)-5-(difluoromethyl)pyridine-4-carbonitrile
CID 130103544

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(cyanomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-chloro-2-(cyanomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile (CID 130071234) is 6-chloro-2-(cyanomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-chloro-2-(cyanomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-chloro-2-(cyanomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile is N#CCc1nc(Cl)cc(C(F)F)c1C#N.
What is the InChIKey of 6-chloro-2-(cyanomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile?
The InChIKey is QMNKYRPSWUNXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF2N3/c10-8-3-5(9(11)12)6(4-14)7(15-8)1-2-13/h3,9H,1H2.
What are the key properties of 6-chloro-2-(cyanomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile?
6-chloro-2-(cyanomethyl)-4-(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 6-chloro-2-(cyanomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 130071234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).