2-(4-fluoro-3-methoxyanilino)-6-methylpyridine-3-carbonitrile

C14H12FN3O — CID 114839862

IUPAC2-(4-fluoro-3-methoxyanilino)-6-methylpyridine-3-carbonitrile
SMILESCOc1cc(Nc2nc(C)ccc2C#N)ccc1F
InChIInChI=1S/C14H12FN3O/c1-9-3-4-10(8-16)14(17-9)18-11-5-6-12(15)13(7-11)19-2/h3-7H,1-2H3,(H,17,18)
InChIKeyLKRKMBFVTHAPOZ-UHFFFAOYSA-N
MW257.27 g/mol
LogP3.15
Rot. Bonds3

About 2-(4-fluoro-3-methoxyanilino)-6-methylpyridine-3-carbonitrile

2-(4-fluoro-3-methoxyanilino)-6-methylpyridine-3-carbonitrile (PubChem CID 114839862) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 2-(4-fluoro-3-methoxyanilino)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-fluoro-3-methoxyanilino)-6-methylpyridine-3-carbonitrile
PubChem CID114839862
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name2-(4-fluoro-3-methoxyanilino)-6-methylpyridine-3-carbonitrile
SMILESCOc1cc(Nc2nc(C)ccc2C#N)ccc1F
InChIInChI=1S/C14H12FN3O/c1-9-3-4-10(8-16)14(17-9)18-11-5-6-12(15)13(7-11)19-2/h3-7H,1-2H3,(H,17,18)
InChIKeyLKRKMBFVTHAPOZ-UHFFFAOYSA-N
XLogP3.15
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromo-3-methoxyanilino)-2-fluorobenzonitrile
CID 82867493
2-(2-cyano-4-fluoroanilino)-6-methylpyridine-3-carbonitrile
CID 82016543
2-[2-fluoro-5-(trifluoromethyl)anilino]-6-methylpyridine-3-carbonitrile
CID 63037715
2-(4-fluoro-3-methoxyanilino)pyrimidine-4-carbonitrile
CID 107545386
2-bromo-5-[(3-cyano-6-methyl-2-pyridinyl)amino]benzoic acid
CID 115296132
2-(3,4-difluoroanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79874742
2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 91334398
N-(4-fluoro-3-methoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 114841210
2-[(2,4-dimethoxyphenyl)methylamino]-6-methylpyridine-3-carbonitrile
CID 63362749
N-(4-fluoro-3-methoxyphenyl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106583334
2,6-difluoro-1-N-(4-fluoro-3-methoxyphenyl)benzene-1,4-diamine
CID 114837137
5-chloro-4-N-(4-fluoro-3-methoxyphenyl)pyrimidine-2,4-diamine
CID 114841159

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methoxyanilino)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(4-fluoro-3-methoxyanilino)-6-methylpyridine-3-carbonitrile (CID 114839862) is 2-(4-fluoro-3-methoxyanilino)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-fluoro-3-methoxyanilino)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(4-fluoro-3-methoxyanilino)-6-methylpyridine-3-carbonitrile is COc1cc(Nc2nc(C)ccc2C#N)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methoxyanilino)-6-methylpyridine-3-carbonitrile?
The InChIKey is LKRKMBFVTHAPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c1-9-3-4-10(8-16)14(17-9)18-11-5-6-12(15)13(7-11)19-2/h3-7H,1-2H3,(H,17,18).
What are the key properties of 2-(4-fluoro-3-methoxyanilino)-6-methylpyridine-3-carbonitrile?
2-(4-fluoro-3-methoxyanilino)-6-methylpyridine-3-carbonitrile has a molecular weight of 257.27 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methoxyanilino)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 114839862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).