6-cyano-5-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride

C9H5ClF2N2O — CID 133107462

IUPAC6-cyano-5-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride
SMILESCc1nc(C#N)c(C(F)F)cc1C(=O)Cl
InChIInChI=1S/C9H5ClF2N2O/c1-4-5(8(10)15)2-6(9(11)12)7(3-13)14-4/h2,9H,1H3
InChIKeyITIIQPQGDBYGJY-UHFFFAOYSA-N
MW230.60 g/mol
LogP2.58
Rot. Bonds2

About 6-cyano-5-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride

6-cyano-5-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride (PubChem CID 133107462) has the molecular formula C9H5ClF2N2O and a molecular weight of 230.60 g/mol. Its IUPAC name is 6-cyano-5-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-cyano-5-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride
PubChem CID133107462
Molecular FormulaC9H5ClF2N2O
Molecular Weight230.60 g/mol
Exact Mass230.01
IUPAC Name6-cyano-5-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride
SMILESCc1nc(C#N)c(C(F)F)cc1C(=O)Cl
InChIInChI=1S/C9H5ClF2N2O/c1-4-5(8(10)15)2-6(9(11)12)7(3-13)14-4/h2,9H,1H3
InChIKeyITIIQPQGDBYGJY-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

5-(difluoromethyl)-6-iodo-2-methylpyridine-3-carbonyl chloride
CID 130086366
methyl 2-cyano-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 133107579
5-(difluoromethyl)-2-iodo-6-methylpyridine-3-carbonyl chloride
CID 130086388
6-cyano-5-(difluoromethyl)-2-iodopyridine-3-carboxamide
CID 119006178
methyl 2-bromo-6-cyano-5-(difluoromethyl)pyridine-3-carboxylate
CID 130109076
6-cyano-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride
CID 134674654
2-cyano-6-(difluoromethyl)-3-fluoropyridine-4-carbonyl chloride
CID 134685966
5-chloro-6-cyano-4-(difluoromethyl)pyridine-2-carbonyl chloride
CID 134662535
6-cyano-3-(difluoromethyl)-5-fluoropyridine-2-carbonyl chloride
CID 134675135
2-cyano-3-(difluoromethyl)-6-methoxypyridine-4-carbonyl chloride
CID 134668839
6-bromo-2-cyano-4-(difluoromethyl)pyridine-3-carbonyl chloride
CID 134675207
6-bromo-2-cyano-3-(difluoromethyl)pyridine-4-carbonyl chloride
CID 134662971

Frequently Asked Questions

What is the IUPAC name of 6-cyano-5-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride?
The IUPAC name of 6-cyano-5-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride (CID 133107462) is 6-cyano-5-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride.
What is the SMILES notation for 6-cyano-5-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride?
The canonical SMILES for 6-cyano-5-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride is Cc1nc(C#N)c(C(F)F)cc1C(=O)Cl.
What is the InChIKey of 6-cyano-5-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride?
The InChIKey is ITIIQPQGDBYGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2N2O/c1-4-5(8(10)15)2-6(9(11)12)7(3-13)14-4/h2,9H,1H3.
What are the key properties of 6-cyano-5-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride?
6-cyano-5-(difluoromethyl)-2-methylpyridine-3-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-5-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride is sourced from PubChem (CID 133107462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).