1-[(3-fluorophenyl)methyl]-4-methoxy-2-oxopyridine-3-carbonitrile

C14H11FN2O2 — CID 22050432

IUPAC1-[(3-fluorophenyl)methyl]-4-methoxy-2-oxopyridine-3-carbonitrile
SMILESCOc1ccn(Cc2cccc(F)c2)c(=O)c1C#N
InChIInChI=1S/C14H11FN2O2/c1-19-13-5-6-17(14(18)12(13)8-16)9-10-3-2-4-11(15)7-10/h2-7H,9H2,1H3
InChIKeyLJRXXNSXJKWXHZ-UHFFFAOYSA-N
MW258.25 g/mol
LogP1.92
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]-4-methoxy-2-oxopyridine-3-carbonitrile

1-[(3-fluorophenyl)methyl]-4-methoxy-2-oxopyridine-3-carbonitrile (PubChem CID 22050432) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-methoxy-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-methoxy-2-oxopyridine-3-carbonitrile
PubChem CID22050432
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name1-[(3-fluorophenyl)methyl]-4-methoxy-2-oxopyridine-3-carbonitrile
SMILESCOc1ccn(Cc2cccc(F)c2)c(=O)c1C#N
InChIInChI=1S/C14H11FN2O2/c1-19-13-5-6-17(14(18)12(13)8-16)9-10-3-2-4-11(15)7-10/h2-7H,9H2,1H3
InChIKeyLJRXXNSXJKWXHZ-UHFFFAOYSA-N
XLogP1.92
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione
CID 7286781
1-[(3-fluorophenyl)methyl]-4-phenylmethoxy-3-(2-trimethylsilylethynyl)pyridin-2-one
CID 22051088
3-bromo-1-[(3-fluorophenyl)methyl]-4-[(3-methylphenyl)methoxy]pyridin-2-one
CID 10287556
3-amino-1-[(3-fluorophenyl)methyl]pyridin-2-one
CID 62101796
1-[(3-fluorophenyl)methyl]indole-6-carbonitrile
CID 91690035
1-benzyl-4-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 56598065
4-amino-3-bromo-1-[(3-fluorophenyl)methyl]pyridin-2-one;hydrochloride
CID 22050881
ethyl 1-[(3-fluorophenyl)methyl]-3-methylpyrrole-2-carboxylate
CID 105421652
1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde
CID 96600000
3-bromo-1-[(3-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridin-2-one
CID 11224847
4-amino-1-benzyl-2-oxopyridine-3-carbonitrile
CID 794120
3-chloro-1-[(3-fluorophenyl)methyl]pyrazin-2-one
CID 114561720

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-methoxy-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-methoxy-2-oxopyridine-3-carbonitrile (CID 22050432) is 1-[(3-fluorophenyl)methyl]-4-methoxy-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-methoxy-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-methoxy-2-oxopyridine-3-carbonitrile is COc1ccn(Cc2cccc(F)c2)c(=O)c1C#N.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-methoxy-2-oxopyridine-3-carbonitrile?
The InChIKey is LJRXXNSXJKWXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c1-19-13-5-6-17(14(18)12(13)8-16)9-10-3-2-4-11(15)7-10/h2-7H,9H2,1H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-methoxy-2-oxopyridine-3-carbonitrile?
1-[(3-fluorophenyl)methyl]-4-methoxy-2-oxopyridine-3-carbonitrile has a molecular weight of 258.25 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4-methoxy-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 22050432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).