6-(difluoromethyl)-3-hydroxy-4-methoxypyridine-2-carbonitrile

C8H6F2N2O2 — CID 130076438

IUPAC6-(difluoromethyl)-3-hydroxy-4-methoxypyridine-2-carbonitrile
SMILESCOc1cc(C(F)F)nc(C#N)c1O
InChIInChI=1S/C8H6F2N2O2/c1-14-6-2-4(8(9)10)12-5(3-11)7(6)13/h2,8,13H,1H3
InChIKeyMUSLSPINBJXDKV-UHFFFAOYSA-N
MW200.14 g/mol
LogP1.61
Rot. Bonds2

About 6-(difluoromethyl)-3-hydroxy-4-methoxypyridine-2-carbonitrile

6-(difluoromethyl)-3-hydroxy-4-methoxypyridine-2-carbonitrile (PubChem CID 130076438) has the molecular formula C8H6F2N2O2 and a molecular weight of 200.14 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-hydroxy-4-methoxypyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(difluoromethyl)-3-hydroxy-4-methoxypyridine-2-carbonitrile
PubChem CID130076438
Molecular FormulaC8H6F2N2O2
Molecular Weight200.14 g/mol
Exact Mass200.04
IUPAC Name6-(difluoromethyl)-3-hydroxy-4-methoxypyridine-2-carbonitrile
SMILESCOc1cc(C(F)F)nc(C#N)c1O
InChIInChI=1S/C8H6F2N2O2/c1-14-6-2-4(8(9)10)12-5(3-11)7(6)13/h2,8,13H,1H3
InChIKeyMUSLSPINBJXDKV-UHFFFAOYSA-N
XLogP1.61
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.14
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(difluoromethyl)-2-fluoro-4-methoxypyridin-3-ol
CID 130079256
6-(difluoromethyl)-3-(hydroxymethyl)-5-methoxypyridine-2-carbonitrile
CID 119001977
6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile
CID 130095863
methyl 2-[3-cyano-6-(difluoromethyl)-4-methoxy-2-pyridinyl]acetate
CID 134676492
methyl 4-chloro-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 130071382
methyl 4-amino-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 130103675
3-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 134669759
6-chloro-3-(difluoromethyl)-5-methoxypyridine-2-carbonitrile
CID 119010171
3-(difluoromethyl)-5-hydroxy-6-methoxypyridine-2-carbonitrile
CID 119008793
2-cyano-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid
CID 130078142
6-cyano-5-(difluoromethyl)-3-methoxypyridine-2-carboxylic acid
CID 130078126
6-cyano-3-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid
CID 130078133

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-hydroxy-4-methoxypyridine-2-carbonitrile?
The IUPAC name of 6-(difluoromethyl)-3-hydroxy-4-methoxypyridine-2-carbonitrile (CID 130076438) is 6-(difluoromethyl)-3-hydroxy-4-methoxypyridine-2-carbonitrile.
What is the SMILES notation for 6-(difluoromethyl)-3-hydroxy-4-methoxypyridine-2-carbonitrile?
The canonical SMILES for 6-(difluoromethyl)-3-hydroxy-4-methoxypyridine-2-carbonitrile is COc1cc(C(F)F)nc(C#N)c1O.
What is the InChIKey of 6-(difluoromethyl)-3-hydroxy-4-methoxypyridine-2-carbonitrile?
The InChIKey is MUSLSPINBJXDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O2/c1-14-6-2-4(8(9)10)12-5(3-11)7(6)13/h2,8,13H,1H3.
What are the key properties of 6-(difluoromethyl)-3-hydroxy-4-methoxypyridine-2-carbonitrile?
6-(difluoromethyl)-3-hydroxy-4-methoxypyridine-2-carbonitrile has a molecular weight of 200.14 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-hydroxy-4-methoxypyridine-2-carbonitrile is sourced from PubChem (CID 130076438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).