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

C8H5ClF2N2O — CID 130071015

IUPAC5-chloro-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile
SMILESCOc1nc(C(F)F)c(Cl)cc1C#N
InChIInChI=1S/C8H5ClF2N2O/c1-14-8-4(3-12)2-5(9)6(13-8)7(10)11/h2,7H,1H3
InChIKeyZNPITKHRMUIKKY-UHFFFAOYSA-N
MW218.59 g/mol
LogP2.55
Rot. Bonds2

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

5-chloro-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile (PubChem CID 130071015) has the molecular formula C8H5ClF2N2O and a molecular weight of 218.59 g/mol. Its IUPAC name is 5-chloro-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile
PubChem CID130071015
Molecular FormulaC8H5ClF2N2O
Molecular Weight218.59 g/mol
Exact Mass218.01
IUPAC Name5-chloro-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile
SMILESCOc1nc(C(F)F)c(Cl)cc1C#N
InChIInChI=1S/C8H5ClF2N2O/c1-14-8-4(3-12)2-5(9)6(13-8)7(10)11/h2,7H,1H3
InChIKeyZNPITKHRMUIKKY-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

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Related Compounds

6-(difluoromethyl)-2-methoxy-5-methylpyridine-3-carbonitrile
CID 130077911
5-(aminomethyl)-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile
CID 130077933
5-(bromomethyl)-3-chloro-2-(difluoromethyl)-6-methoxypyridine
CID 130073770
2-(difluoromethyl)-5-(hydroxymethyl)-6-methoxypyridine-3-carbonitrile
CID 130078059
5-cyano-6-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride
CID 131459192
2-chloro-6-(difluoromethyl)-5-methoxypyridine-3-carbonitrile
CID 119019871
ethyl 2-[5-chloro-3-cyano-6-(difluoromethyl)-2-pyridinyl]acetate
CID 171029622
5-(difluoromethyl)-6-formyl-2-methoxypyridine-3-carbonitrile
CID 130078112
3-chloro-2-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
CID 130070902
2-(difluoromethyl)-3-methoxy-6-methylpyridine-4-carbonitrile
CID 118839081
6-(difluoromethyl)-5-methoxy-2-methylpyridine-3-carbonitrile
CID 130077908
2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133098420

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile?
The IUPAC name of 5-chloro-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile (CID 130071015) is 5-chloro-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile is COc1nc(C(F)F)c(Cl)cc1C#N.
What is the InChIKey of 5-chloro-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile?
The InChIKey is ZNPITKHRMUIKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N2O/c1-14-8-4(3-12)2-5(9)6(13-8)7(10)11/h2,7H,1H3.
What are the key properties of 5-chloro-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile?
5-chloro-6-(difluoromethyl)-2-methoxypyridine-3-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 5-chloro-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 130071015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).