6-cyano-3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride

C9H5ClF2N2O — CID 133107472

IUPAC6-cyano-3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
SMILESCc1cc(C#N)nc(C(=O)Cl)c1C(F)F
InChIInChI=1S/C9H5ClF2N2O/c1-4-2-5(3-13)14-7(8(10)15)6(4)9(11)12/h2,9H,1H3
InChIKeyPKUHGYFCGPNLOP-UHFFFAOYSA-N
MW230.60 g/mol
LogP2.58
Rot. Bonds2

About 6-cyano-3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride

6-cyano-3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride (PubChem CID 133107472) has the molecular formula C9H5ClF2N2O and a molecular weight of 230.60 g/mol. Its IUPAC name is 6-cyano-3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride.

Molecular Properties

Compound Name6-cyano-3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
PubChem CID133107472
Molecular FormulaC9H5ClF2N2O
Molecular Weight230.60 g/mol
Exact Mass230.01
IUPAC Name6-cyano-3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
SMILESCc1cc(C#N)nc(C(=O)Cl)c1C(F)F
InChIInChI=1S/C9H5ClF2N2O/c1-4-2-5(3-13)14-7(8(10)15)6(4)9(11)12/h2,9H,1H3
InChIKeyPKUHGYFCGPNLOP-UHFFFAOYSA-N
XLogP2.58
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.60
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-cyano-3-(difluoromethyl)-4-methylpyridine-2-carboxylate
CID 133107578
ethyl 4-(chloromethyl)-6-cyano-3-(difluoromethyl)pyridine-2-carboxylate
CID 133107217
3-chloro-6-cyano-2-(difluoromethyl)pyridine-4-carbonyl chloride
CID 134674147
4-amino-3-(difluoromethyl)-6-methylpyridine-2-carbonyl chloride
CID 118828226
3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 130097794
ethyl 6-cyano-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133106970
6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 130106642
6-cyano-2-(difluoromethyl)-3-methoxypyridine-4-carbonyl chloride
CID 134685892
4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbonyl chloride
CID 118845152
6-amino-3-(difluoromethyl)-4-methylpyridine-2-carboxamide
CID 130106776
4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-2-carbonitrile
CID 130078289
2-cyano-3-(difluoromethyl)-6-methoxypyridine-4-carbonyl chloride
CID 134668839

Frequently Asked Questions

What is the IUPAC name of 6-cyano-3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride?
The IUPAC name of 6-cyano-3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride (CID 133107472) is 6-cyano-3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride.
What is the SMILES notation for 6-cyano-3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride?
The canonical SMILES for 6-cyano-3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride is Cc1cc(C#N)nc(C(=O)Cl)c1C(F)F.
What is the InChIKey of 6-cyano-3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride?
The InChIKey is PKUHGYFCGPNLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2N2O/c1-4-2-5(3-13)14-7(8(10)15)6(4)9(11)12/h2,9H,1H3.
What are the key properties of 6-cyano-3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride?
6-cyano-3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride has a molecular weight of 230.60 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride is sourced from PubChem (CID 133107472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).