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

C10H7F2N3O — CID 134664614

IUPAC5-(cyanomethyl)-6-(difluoromethyl)-3-methoxypyridine-2-carbonitrile
SMILESCOc1cc(CC#N)c(C(F)F)nc1C#N
InChIInChI=1S/C10H7F2N3O/c1-16-8-4-6(2-3-13)9(10(11)12)15-7(8)5-14/h4,10H,2H2,1H3
InChIKeyBQBIQDRVKGOZQK-UHFFFAOYSA-N
MW223.18 g/mol
LogP1.97
Rot. Bonds3

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

5-(cyanomethyl)-6-(difluoromethyl)-3-methoxypyridine-2-carbonitrile (PubChem CID 134664614) has the molecular formula C10H7F2N3O and a molecular weight of 223.18 g/mol. Its IUPAC name is 5-(cyanomethyl)-6-(difluoromethyl)-3-methoxypyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(cyanomethyl)-6-(difluoromethyl)-3-methoxypyridine-2-carbonitrile
PubChem CID134664614
Molecular FormulaC10H7F2N3O
Molecular Weight223.18 g/mol
Exact Mass223.06
IUPAC Name5-(cyanomethyl)-6-(difluoromethyl)-3-methoxypyridine-2-carbonitrile
SMILESCOc1cc(CC#N)c(C(F)F)nc1C#N
InChIInChI=1S/C10H7F2N3O/c1-16-8-4-6(2-3-13)9(10(11)12)15-7(8)5-14/h4,10H,2H2,1H3
InChIKeyBQBIQDRVKGOZQK-UHFFFAOYSA-N
XLogP1.97
TPSA69.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(difluoromethyl)-3-(hydroxymethyl)-5-methoxypyridine-2-carbonitrile
CID 119001977
3-(cyanomethyl)-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile
CID 134685939
2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133098420
2-[5-chloro-2-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile
CID 130074290
2-cyano-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid
CID 130078142
2-[2-(difluoromethyl)-5,6-difluoro-3-pyridinyl]acetonitrile
CID 119012339
2-[6-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118820546
2-[5,6-diamino-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 119009096
2-(2-chloro-5-methoxy-4-methylphenyl)acetonitrile
CID 84773814
2-[6-(difluoromethyl)-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118809568
2-[6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118803481
3-chloro-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 134669233

Frequently Asked Questions

What is the IUPAC name of 5-(cyanomethyl)-6-(difluoromethyl)-3-methoxypyridine-2-carbonitrile?
The IUPAC name of 5-(cyanomethyl)-6-(difluoromethyl)-3-methoxypyridine-2-carbonitrile (CID 134664614) is 5-(cyanomethyl)-6-(difluoromethyl)-3-methoxypyridine-2-carbonitrile.
What is the SMILES notation for 5-(cyanomethyl)-6-(difluoromethyl)-3-methoxypyridine-2-carbonitrile?
The canonical SMILES for 5-(cyanomethyl)-6-(difluoromethyl)-3-methoxypyridine-2-carbonitrile is COc1cc(CC#N)c(C(F)F)nc1C#N.
What is the InChIKey of 5-(cyanomethyl)-6-(difluoromethyl)-3-methoxypyridine-2-carbonitrile?
The InChIKey is BQBIQDRVKGOZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O/c1-16-8-4-6(2-3-13)9(10(11)12)15-7(8)5-14/h4,10H,2H2,1H3.
What are the key properties of 5-(cyanomethyl)-6-(difluoromethyl)-3-methoxypyridine-2-carbonitrile?
5-(cyanomethyl)-6-(difluoromethyl)-3-methoxypyridine-2-carbonitrile has a molecular weight of 223.18 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyanomethyl)-6-(difluoromethyl)-3-methoxypyridine-2-carbonitrile is sourced from PubChem (CID 134664614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).