5-amino-6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile

C8H7F2N3O — CID 130103305

IUPAC5-amino-6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile
SMILESCOc1cc(C#N)nc(C(F)F)c1N
InChIInChI=1S/C8H7F2N3O/c1-14-5-2-4(3-11)13-7(6(5)12)8(9)10/h2,8H,12H2,1H3
InChIKeyGYUJXXGCIJSXCN-UHFFFAOYSA-N
MW199.16 g/mol
LogP1.48
Rot. Bonds2

About 5-amino-6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile

5-amino-6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile (PubChem CID 130103305) has the molecular formula C8H7F2N3O and a molecular weight of 199.16 g/mol. Its IUPAC name is 5-amino-6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile
PubChem CID130103305
Molecular FormulaC8H7F2N3O
Molecular Weight199.16 g/mol
Exact Mass199.06
IUPAC Name5-amino-6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile
SMILESCOc1cc(C#N)nc(C(F)F)c1N
InChIInChI=1S/C8H7F2N3O/c1-14-5-2-4(3-11)13-7(6(5)12)8(9)10/h2,8H,12H2,1H3
InChIKeyGYUJXXGCIJSXCN-UHFFFAOYSA-N
XLogP1.48
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130102414
2-(difluoromethyl)-4-methoxy-6-(trifluoromethyl)pyridin-3-amine
CID 130106010
5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-2-carbonitrile
CID 130078046
6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile
CID 130095863
6-cyano-2-(difluoromethyl)-3-methoxypyridine-4-carbonyl chloride
CID 134685892
5-(cyanomethyl)-6-(difluoromethyl)-3-methoxypyridine-2-carbonitrile
CID 134664614
6-(difluoromethyl)-5-methoxy-2-methylpyridine-3-carbonitrile
CID 130077908
2-chloro-6-(difluoromethyl)-5-methoxypyridine-3-carbonitrile
CID 119019871
methyl 4-(aminomethyl)-6-cyano-2-(difluoromethyl)pyridine-3-carboxylate
CID 133107066
methyl 6-cyano-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 134664321
4-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile
CID 130077308
methyl 2-[6-cyano-2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetate
CID 134684522

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile?
The IUPAC name of 5-amino-6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile (CID 130103305) is 5-amino-6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile.
What is the SMILES notation for 5-amino-6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile?
The canonical SMILES for 5-amino-6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile is COc1cc(C#N)nc(C(F)F)c1N.
What is the InChIKey of 5-amino-6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile?
The InChIKey is GYUJXXGCIJSXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3O/c1-14-5-2-4(3-11)13-7(6(5)12)8(9)10/h2,8H,12H2,1H3.
What are the key properties of 5-amino-6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile?
5-amino-6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile has a molecular weight of 199.16 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(difluoromethyl)-4-methoxypyridine-2-carbonitrile is sourced from PubChem (CID 130103305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).