1-[(3-bromo-4-fluorophenyl)methyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one

C20H14BrClFN5O2 — CID 168875768

IUPAC1-[(3-bromo-4-fluorophenyl)methyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one
SMILESCOc1cn(Cc2ccc(F)c(Br)c2)c(=O)cc1-c1cc(Cl)ccc1-n1cnnn1
InChIInChI=1S/C20H14BrClFN5O2/c1-30-19-10-27(9-12-2-4-17(23)16(21)6-12)20(29)8-15(19)14-7-13(22)3-5-18(14)28-11-24-25-26-28/h2-8,10-11H,9H2,1H3
InChIKeyJYIOETYUQWZBRP-UHFFFAOYSA-N
MW490.72 g/mol
LogP4.10
Rot. Bonds5

About 1-[(3-bromo-4-fluorophenyl)methyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one

1-[(3-bromo-4-fluorophenyl)methyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one (PubChem CID 168875768) has the molecular formula C20H14BrClFN5O2 and a molecular weight of 490.72 g/mol. Its IUPAC name is 1-[(3-bromo-4-fluorophenyl)methyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one.

Molecular Properties

Compound Name1-[(3-bromo-4-fluorophenyl)methyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one
PubChem CID168875768
Molecular FormulaC20H14BrClFN5O2
Molecular Weight490.72 g/mol
Exact Mass489.00
IUPAC Name1-[(3-bromo-4-fluorophenyl)methyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one
SMILESCOc1cn(Cc2ccc(F)c(Br)c2)c(=O)cc1-c1cc(Cl)ccc1-n1cnnn1
InChIInChI=1S/C20H14BrClFN5O2/c1-30-19-10-27(9-12-2-4-17(23)16(21)6-12)20(29)8-15(19)14-7-13(22)3-5-18(14)28-11-24-25-26-28/h2-8,10-11H,9H2,1H3
InChIKeyJYIOETYUQWZBRP-UHFFFAOYSA-N
XLogP4.10
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.72
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

4-[[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]acetyl]amino]benzoic acid
CID 135205876
2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoic acid;hydrochloride
CID 135205382
1-[1-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]ethyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one
CID 155678306
1-[1-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidazol-2-yl]-2-phenylethyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one
CID 162353763
4-[5-chloro-2-(tetrazol-1-yl)phenyl]-1H-pyrimidin-6-one
CID 136969577
(2S)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)pentanamide
CID 135204928
1-[(3-bromo-4-fluorophenyl)methyl]-5-iodo-4-methylpyridin-2-one
CID 79785668
3-[(3-bromo-4-methoxyphenyl)methyl]-6-methylpyrimidin-4-one
CID 54970847
N-[(4-bromo-3-fluorophenyl)methyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 86868037
N-(2-amino-4-nitrophenyl)-2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-phenylprop-2-enamide
CID 175176861
1-[(3-bromo-4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 60673927
[2-[1-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-2-phenylethyl]-5-fluoro-1H-imidazol-4-yl] N-tert-butyl-N-pyridin-2-ylcarbamate
CID 175184656

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one?
The IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one (CID 168875768) is 1-[(3-bromo-4-fluorophenyl)methyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one.
What is the SMILES notation for 1-[(3-bromo-4-fluorophenyl)methyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one?
The canonical SMILES for 1-[(3-bromo-4-fluorophenyl)methyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one is COc1cn(Cc2ccc(F)c(Br)c2)c(=O)cc1-c1cc(Cl)ccc1-n1cnnn1.
What is the InChIKey of 1-[(3-bromo-4-fluorophenyl)methyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one?
The InChIKey is JYIOETYUQWZBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrClFN5O2/c1-30-19-10-27(9-12-2-4-17(23)16(21)6-12)20(29)8-15(19)14-7-13(22)3-5-18(14)28-11-24-25-26-28/h2-8,10-11H,9H2,1H3.
What are the key properties of 1-[(3-bromo-4-fluorophenyl)methyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one?
1-[(3-bromo-4-fluorophenyl)methyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one has a molecular weight of 490.72 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-fluorophenyl)methyl]-4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxypyridin-2-one is sourced from PubChem (CID 168875768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).