6-chloro-3-(difluoromethyl)-5-methoxypyridine-2-carbonitrile

C8H5ClF2N2O — CID 119010171

IUPAC6-chloro-3-(difluoromethyl)-5-methoxypyridine-2-carbonitrile
SMILESCOc1cc(C(F)F)c(C#N)nc1Cl
InChIInChI=1S/C8H5ClF2N2O/c1-14-6-2-4(8(10)11)5(3-12)13-7(6)9/h2,8H,1H3
InChIKeyRZJAJCNDJCYVLW-UHFFFAOYSA-N
MW218.59 g/mol
LogP2.55
Rot. Bonds2

About 6-chloro-3-(difluoromethyl)-5-methoxypyridine-2-carbonitrile

6-chloro-3-(difluoromethyl)-5-methoxypyridine-2-carbonitrile (PubChem CID 119010171) has the molecular formula C8H5ClF2N2O and a molecular weight of 218.59 g/mol. Its IUPAC name is 6-chloro-3-(difluoromethyl)-5-methoxypyridine-2-carbonitrile.

Molecular Properties

Compound Name6-chloro-3-(difluoromethyl)-5-methoxypyridine-2-carbonitrile
PubChem CID119010171
Molecular FormulaC8H5ClF2N2O
Molecular Weight218.59 g/mol
Exact Mass218.01
IUPAC Name6-chloro-3-(difluoromethyl)-5-methoxypyridine-2-carbonitrile
SMILESCOc1cc(C(F)F)c(C#N)nc1Cl
InChIInChI=1S/C8H5ClF2N2O/c1-14-6-2-4(8(10)11)5(3-12)13-7(6)9/h2,8H,1H3
InChIKeyRZJAJCNDJCYVLW-UHFFFAOYSA-N
XLogP2.55
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.59
LogP ≤ 52.55
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

3-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 134669759
6-cyano-5-(difluoromethyl)-3-methoxypyridine-2-carboxylic acid
CID 130078126
6-chloro-3-(difluoromethyl)-5-methoxypyridin-2-amine
CID 130102532
3-(difluoromethyl)-5-hydroxy-6-methoxypyridine-2-carbonitrile
CID 119008793
6-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid
CID 130078133
5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 130070918
6-chloro-3-(difluoromethyl)-5-methoxypyridine-2-carboxamide
CID 119005525
2-chloro-6-(difluoromethyl)-5-methoxypyridine-3-carbonitrile
CID 119019871
2-cyano-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid
CID 130078142
methyl 2-bromo-6-cyano-5-(difluoromethyl)pyridine-3-carboxylate
CID 130109076
5-(cyanomethyl)-6-(difluoromethyl)-3-methoxypyridine-2-carbonitrile
CID 134664614
6-cyano-5-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride
CID 133107462

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(difluoromethyl)-5-methoxypyridine-2-carbonitrile?
The IUPAC name of 6-chloro-3-(difluoromethyl)-5-methoxypyridine-2-carbonitrile (CID 119010171) is 6-chloro-3-(difluoromethyl)-5-methoxypyridine-2-carbonitrile.
What is the SMILES notation for 6-chloro-3-(difluoromethyl)-5-methoxypyridine-2-carbonitrile?
The canonical SMILES for 6-chloro-3-(difluoromethyl)-5-methoxypyridine-2-carbonitrile is COc1cc(C(F)F)c(C#N)nc1Cl.
What is the InChIKey of 6-chloro-3-(difluoromethyl)-5-methoxypyridine-2-carbonitrile?
The InChIKey is RZJAJCNDJCYVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N2O/c1-14-6-2-4(8(10)11)5(3-12)13-7(6)9/h2,8H,1H3.
What are the key properties of 6-chloro-3-(difluoromethyl)-5-methoxypyridine-2-carbonitrile?
6-chloro-3-(difluoromethyl)-5-methoxypyridine-2-carbonitrile has a molecular weight of 218.59 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(difluoromethyl)-5-methoxypyridine-2-carbonitrile is sourced from PubChem (CID 119010171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).