7-chloro-3-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid

C10H6ClNO4 — CID 115043325

IUPAC7-chloro-3-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid
SMILESO=C(O)c1[nH]c2cc(Cl)ccc2c(=O)c1O
InChIInChI=1S/C10H6ClNO4/c11-4-1-2-5-6(3-4)12-7(10(15)16)9(14)8(5)13/h1-3,14H,(H,12,13)(H,15,16)
InChIKeySYVDUKJQUHPHGH-UHFFFAOYSA-N
MW239.61 g/mol
LogP1.59
Rot. Bonds1

About 7-chloro-3-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid

7-chloro-3-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid (PubChem CID 115043325) has the molecular formula C10H6ClNO4 and a molecular weight of 239.61 g/mol. Its IUPAC name is 7-chloro-3-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-3-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid
PubChem CID115043325
Molecular FormulaC10H6ClNO4
Molecular Weight239.61 g/mol
Exact Mass239.00
IUPAC Name7-chloro-3-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid
SMILESO=C(O)c1[nH]c2cc(Cl)ccc2c(=O)c1O
InChIInChI=1S/C10H6ClNO4/c11-4-1-2-5-6(3-4)12-7(10(15)16)9(14)8(5)13/h1-3,14H,(H,12,13)(H,15,16)
InChIKeySYVDUKJQUHPHGH-UHFFFAOYSA-N
XLogP1.59
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.61
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid
CID 82243483
7-chloro-3-hydroxy-2-methyl-1H-quinolin-4-one
CID 70376894
6-chloro-3-(4-fluorophenyl)-1H-indole-2-carboxylic acid
CID 10469448
6-chloro-3-(3-hydroxypropyl)-1H-indole-2-carboxylic acid
CID 90083235
7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbaldehyde
CID 173218252
5-chloro-3-fluoro-1H-indole-2-carboxylic acid
CID 22934792
7-chloro-4-hydroxy-3-methylsulfonyl-1H-quinolin-2-one
CID 54689450
2-bromo-3,7-dichloro-1H-quinolin-4-one
CID 174901251
7-chloro-2-(cyclohexylamino)-4-oxo-1H-quinoline-3-carboxylic acid
CID 171358573
2-(7-chloro-4-oxo-1H-quinolin-3-yl)acetic acid
CID 84700341
3-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid;6-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid
CID 174619588
(7-chloro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl acetate
CID 609460

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid?
The IUPAC name of 7-chloro-3-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid (CID 115043325) is 7-chloro-3-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for 7-chloro-3-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid?
The canonical SMILES for 7-chloro-3-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid is O=C(O)c1[nH]c2cc(Cl)ccc2c(=O)c1O.
What is the InChIKey of 7-chloro-3-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid?
The InChIKey is SYVDUKJQUHPHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO4/c11-4-1-2-5-6(3-4)12-7(10(15)16)9(14)8(5)13/h1-3,14H,(H,12,13)(H,15,16).
What are the key properties of 7-chloro-3-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid?
7-chloro-3-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid has a molecular weight of 239.61 g/mol, XLogP of 1.59, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 115043325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).