(7-chloro-2-oxo-1H-quinolin-3-yl)phosphonic acid

C9H7ClNO4P — CID 10945159

IUPAC(7-chloro-2-oxo-1H-quinolin-3-yl)phosphonic acid
SMILESO=c1[nH]c2cc(Cl)ccc2cc1P(=O)(O)O
InChIInChI=1S/C9H7ClNO4P/c10-6-2-1-5-3-8(16(13,14)15)9(12)11-7(5)4-6/h1-4H,(H,11,12)(H2,13,14,15)
InChIKeyBYJQKPBFCDIIFS-UHFFFAOYSA-N
MW259.59 g/mol
LogP0.98
Rot. Bonds1

About (7-chloro-2-oxo-1H-quinolin-3-yl)phosphonic acid

(7-chloro-2-oxo-1H-quinolin-3-yl)phosphonic acid (PubChem CID 10945159) has the molecular formula C9H7ClNO4P and a molecular weight of 259.59 g/mol. Its IUPAC name is (7-chloro-2-oxo-1H-quinolin-3-yl)phosphonic acid.

Molecular Properties

Compound Name(7-chloro-2-oxo-1H-quinolin-3-yl)phosphonic acid
PubChem CID10945159
Molecular FormulaC9H7ClNO4P
Molecular Weight259.59 g/mol
Exact Mass258.98
IUPAC Name(7-chloro-2-oxo-1H-quinolin-3-yl)phosphonic acid
SMILESO=c1[nH]c2cc(Cl)ccc2cc1P(=O)(O)O
InChIInChI=1S/C9H7ClNO4P/c10-6-2-1-5-3-8(16(13,14)15)9(12)11-7(5)4-6/h1-4H,(H,11,12)(H2,13,14,15)
InChIKeyBYJQKPBFCDIIFS-UHFFFAOYSA-N
XLogP0.98
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.59
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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CID 18184112
[7-chloro-6-(hydroxysulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid
CID 11760033
[7-chloro-6-(dimethylsulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid
CID 10155805
7-chloro-3-[(7-chloro-2-oxo-1H-quinolin-3-yl)sulfonylmethylsulfonyl]-1H-quinolin-2-one
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7-chloro-3-piperidin-4-yl-1H-quinolin-2-one
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3-(6-chloro-1H-indol-2-yl)propan-1-ol
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3,7-dichloro-1H-quinoxalin-2-one
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7-chloro-3-pyrrolidin-2-yl-1H-quinolin-2-one
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Frequently Asked Questions

What is the IUPAC name of (7-chloro-2-oxo-1H-quinolin-3-yl)phosphonic acid?
The IUPAC name of (7-chloro-2-oxo-1H-quinolin-3-yl)phosphonic acid (CID 10945159) is (7-chloro-2-oxo-1H-quinolin-3-yl)phosphonic acid.
What is the SMILES notation for (7-chloro-2-oxo-1H-quinolin-3-yl)phosphonic acid?
The canonical SMILES for (7-chloro-2-oxo-1H-quinolin-3-yl)phosphonic acid is O=c1[nH]c2cc(Cl)ccc2cc1P(=O)(O)O.
What is the InChIKey of (7-chloro-2-oxo-1H-quinolin-3-yl)phosphonic acid?
The InChIKey is BYJQKPBFCDIIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClNO4P/c10-6-2-1-5-3-8(16(13,14)15)9(12)11-7(5)4-6/h1-4H,(H,11,12)(H2,13,14,15).
What are the key properties of (7-chloro-2-oxo-1H-quinolin-3-yl)phosphonic acid?
(7-chloro-2-oxo-1H-quinolin-3-yl)phosphonic acid has a molecular weight of 259.59 g/mol, XLogP of 0.98, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-2-oxo-1H-quinolin-3-yl)phosphonic acid is sourced from PubChem (CID 10945159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).