2-(cyanomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carbonitrile

C10H7F2N3O — CID 118816708

IUPAC2-(cyanomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carbonitrile
SMILESCOc1c(CC#N)ncc(C(F)F)c1C#N
InChIInChI=1S/C10H7F2N3O/c1-16-9-6(4-14)7(10(11)12)5-15-8(9)2-3-13/h5,10H,2H2,1H3
InChIKeySBRLKURLILNDIV-UHFFFAOYSA-N
MW223.18 g/mol
LogP1.97
Rot. Bonds3

About 2-(cyanomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carbonitrile

2-(cyanomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carbonitrile (PubChem CID 118816708) has the molecular formula C10H7F2N3O and a molecular weight of 223.18 g/mol. Its IUPAC name is 2-(cyanomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(cyanomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carbonitrile
PubChem CID118816708
Molecular FormulaC10H7F2N3O
Molecular Weight223.18 g/mol
Exact Mass223.06
IUPAC Name2-(cyanomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carbonitrile
SMILESCOc1c(CC#N)ncc(C(F)F)c1C#N
InChIInChI=1S/C10H7F2N3O/c1-16-9-6(4-14)7(10(11)12)5-15-8(9)2-3-13/h5,10H,2H2,1H3
InChIKeySBRLKURLILNDIV-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

2-[5-(difluoromethyl)-3,4-dimethoxy-2-pyridinyl]acetonitrile
CID 134672413
2-[5-(difluoromethyl)-3-methoxy-4-methyl-2-pyridinyl]acetonitrile
CID 133100528
2-(cyanomethyl)-5-(difluoromethyl)-3-iodopyridine-4-carbonitrile
CID 130077493
3-amino-2-(cyanomethyl)-5-(difluoromethyl)pyridine-4-carbonitrile
CID 130103544
2-[2-(aminomethyl)-5-(difluoromethyl)-4-methoxy-3-pyridinyl]acetonitrile
CID 118837045
2-[5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetonitrile
CID 133084936
5-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carbonitrile
CID 119010675
2-[3-(bromomethyl)-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
CID 130081790
2-[5-(difluoromethyl)-4-fluoro-3-hydroxy-2-pyridinyl]acetonitrile
CID 130079552
2-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 130076122
2-[3-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
CID 130109640
2-[3-(bromomethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
CID 130091195

Frequently Asked Questions

What is the IUPAC name of 2-(cyanomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carbonitrile?
The IUPAC name of 2-(cyanomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carbonitrile (CID 118816708) is 2-(cyanomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carbonitrile.
What is the SMILES notation for 2-(cyanomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carbonitrile?
The canonical SMILES for 2-(cyanomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carbonitrile is COc1c(CC#N)ncc(C(F)F)c1C#N.
What is the InChIKey of 2-(cyanomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carbonitrile?
The InChIKey is SBRLKURLILNDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O/c1-16-9-6(4-14)7(10(11)12)5-15-8(9)2-3-13/h5,10H,2H2,1H3.
What are the key properties of 2-(cyanomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carbonitrile?
2-(cyanomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-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 2-(cyanomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carbonitrile is sourced from PubChem (CID 118816708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).