4-(4-fluoro-1H-indol-7-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C15H10FN3O — CID 168585590

IUPAC4-(4-fluoro-1H-indol-7-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(F)c3cc[nH]c23)c(C#N)c(=O)[nH]1
InChIInChI=1S/C15H10FN3O/c1-8-6-11(12(7-17)15(20)19-8)9-2-3-13(16)10-4-5-18-14(9)10/h2-6,18H,1H3,(H,19,20)
InChIKeyRTWCVJWIZWTURM-UHFFFAOYSA-N
MW267.26 g/mol
LogP2.84
Rot. Bonds1

About 4-(4-fluoro-1H-indol-7-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-(4-fluoro-1H-indol-7-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168585590) has the molecular formula C15H10FN3O and a molecular weight of 267.26 g/mol. Its IUPAC name is 4-(4-fluoro-1H-indol-7-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-fluoro-1H-indol-7-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168585590
Molecular FormulaC15H10FN3O
Molecular Weight267.26 g/mol
Exact Mass267.08
IUPAC Name4-(4-fluoro-1H-indol-7-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(F)c3cc[nH]c23)c(C#N)c(=O)[nH]1
InChIInChI=1S/C15H10FN3O/c1-8-6-11(12(7-17)15(20)19-8)9-2-3-13(16)10-4-5-18-14(9)10/h2-6,18H,1H3,(H,19,20)
InChIKeyRTWCVJWIZWTURM-UHFFFAOYSA-N
XLogP2.84
TPSA72.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-chloro-2-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584801
4-(3-fluoro-2-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585469
4-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586138
4-[3-cyano-4-(dimethylamino)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585918
4-[5-(difluoromethoxy)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585905
4-(2-chloro-5-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587175
4-[2-(difluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585529
4-(2-bromo-4-fluoro-5-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587182
4-(2-bromo-5-chlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584524
4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586078
4-(3-fluoro-4-phenylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585191
4-[6-fluoro-2-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585510

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-1H-indol-7-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(4-fluoro-1H-indol-7-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168585590) is 4-(4-fluoro-1H-indol-7-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-fluoro-1H-indol-7-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-fluoro-1H-indol-7-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2ccc(F)c3cc[nH]c23)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-(4-fluoro-1H-indol-7-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is RTWCVJWIZWTURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O/c1-8-6-11(12(7-17)15(20)19-8)9-2-3-13(16)10-4-5-18-14(9)10/h2-6,18H,1H3,(H,19,20).
What are the key properties of 4-(4-fluoro-1H-indol-7-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-(4-fluoro-1H-indol-7-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 267.26 g/mol, XLogP of 2.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-1H-indol-7-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168585590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).