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

C9H5ClF2N2O2 — CID 134668839

IUPAC2-cyano-3-(difluoromethyl)-6-methoxypyridine-4-carbonyl chloride
SMILESCOc1cc(C(=O)Cl)c(C(F)F)c(C#N)n1
InChIInChI=1S/C9H5ClF2N2O2/c1-16-6-2-4(8(10)15)7(9(11)12)5(3-13)14-6/h2,9H,1H3
InChIKeyIYTXSXHTSQUDKK-UHFFFAOYSA-N
MW246.60 g/mol
LogP2.28
Rot. Bonds3

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

2-cyano-3-(difluoromethyl)-6-methoxypyridine-4-carbonyl chloride (PubChem CID 134668839) has the molecular formula C9H5ClF2N2O2 and a molecular weight of 246.60 g/mol. Its IUPAC name is 2-cyano-3-(difluoromethyl)-6-methoxypyridine-4-carbonyl chloride.

Molecular Properties

Compound Name2-cyano-3-(difluoromethyl)-6-methoxypyridine-4-carbonyl chloride
PubChem CID134668839
Molecular FormulaC9H5ClF2N2O2
Molecular Weight246.60 g/mol
Exact Mass246.00
IUPAC Name2-cyano-3-(difluoromethyl)-6-methoxypyridine-4-carbonyl chloride
SMILESCOc1cc(C(=O)Cl)c(C(F)F)c(C#N)n1
InChIInChI=1S/C9H5ClF2N2O2/c1-16-6-2-4(8(10)15)7(9(11)12)5(3-13)14-6/h2,9H,1H3
InChIKeyIYTXSXHTSQUDKK-UHFFFAOYSA-N
XLogP2.28
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.60
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-cyano-3-(difluoromethyl)pyridine-4-carbonyl chloride
CID 134662971
3-(difluoromethyl)-6-methoxy-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 118990236
6-bromo-2-cyano-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 130109023
4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbonitrile
CID 130077872
6-cyano-5-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride
CID 133107462
ethyl 6-chloro-2-cyano-3-(difluoromethyl)pyridine-4-carboxylate
CID 134662523
2-cyano-4-(difluoromethyl)-6-methoxypyridine-3-sulfonyl chloride
CID 131269666
6-cyano-2-(difluoromethyl)-3-methoxypyridine-4-carbonyl chloride
CID 134685892
4-(difluoromethyl)-3-iodo-6-methoxypyridine-2-carbonitrile
CID 118995379
6-cyano-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride
CID 134674654
2-cyano-6-(difluoromethyl)-3-fluoropyridine-4-carbonyl chloride
CID 134685966
6-cyano-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
CID 134684536

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(difluoromethyl)-6-methoxypyridine-4-carbonyl chloride?
The IUPAC name of 2-cyano-3-(difluoromethyl)-6-methoxypyridine-4-carbonyl chloride (CID 134668839) is 2-cyano-3-(difluoromethyl)-6-methoxypyridine-4-carbonyl chloride.
What is the SMILES notation for 2-cyano-3-(difluoromethyl)-6-methoxypyridine-4-carbonyl chloride?
The canonical SMILES for 2-cyano-3-(difluoromethyl)-6-methoxypyridine-4-carbonyl chloride is COc1cc(C(=O)Cl)c(C(F)F)c(C#N)n1.
What is the InChIKey of 2-cyano-3-(difluoromethyl)-6-methoxypyridine-4-carbonyl chloride?
The InChIKey is IYTXSXHTSQUDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2N2O2/c1-16-6-2-4(8(10)15)7(9(11)12)5(3-13)14-6/h2,9H,1H3.
What are the key properties of 2-cyano-3-(difluoromethyl)-6-methoxypyridine-4-carbonyl chloride?
2-cyano-3-(difluoromethyl)-6-methoxypyridine-4-carbonyl chloride has a molecular weight of 246.60 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(difluoromethyl)-6-methoxypyridine-4-carbonyl chloride is sourced from PubChem (CID 134668839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).