6-bromo-3-(hydroxymethyl)-1H-quinolin-4-one

C10H8BrNO2 — CID 142859421

IUPAC6-bromo-3-(hydroxymethyl)-1H-quinolin-4-one
SMILESO=c1c(CO)c[nH]c2ccc(Br)cc12
InChIInChI=1S/C10H8BrNO2/c11-7-1-2-9-8(3-7)10(14)6(5-13)4-12-9/h1-4,13H,5H2,(H,12,14)
InChIKeyCLSVWKDUNSOJSC-UHFFFAOYSA-N
MW254.08 g/mol
LogP1.78
Rot. Bonds1

About 6-bromo-3-(hydroxymethyl)-1H-quinolin-4-one

6-bromo-3-(hydroxymethyl)-1H-quinolin-4-one (PubChem CID 142859421) has the molecular formula C10H8BrNO2 and a molecular weight of 254.08 g/mol. Its IUPAC name is 6-bromo-3-(hydroxymethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-bromo-3-(hydroxymethyl)-1H-quinolin-4-one
PubChem CID142859421
Molecular FormulaC10H8BrNO2
Molecular Weight254.08 g/mol
Exact Mass252.97
IUPAC Name6-bromo-3-(hydroxymethyl)-1H-quinolin-4-one
SMILESO=c1c(CO)c[nH]c2ccc(Br)cc12
InChIInChI=1S/C10H8BrNO2/c11-7-1-2-9-8(3-7)10(14)6(5-13)4-12-9/h1-4,13H,5H2,(H,12,14)
InChIKeyCLSVWKDUNSOJSC-UHFFFAOYSA-N
XLogP1.78
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl 6-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylate
CID 689824
Ethyl 6-bromo-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
CID 619729
8-Bromo-4-hydroxyquinoline-3-carboxylic acid
CID 735364
6-bromo-3-pentanoyl-1H-quinolin-4-one
CID 44560520
6-Bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid
CID 764592
6-Bromo-4-hydroxyquinoline-3-carboxylic acid
CID 693203
6-Bromo-3-ethoxycarbonyl-2-methyl-4-quinolone
CID 11616547
7-Bromo-4-hydroxyquinoline-3-carboxylic acid
CID 10400802
6-Bromo-1,4-dihydroquinolin-4-one
CID 12403680
3-(Hydroxymethyl)-2-methyl-4-quinolinol
CID 730765
Ethyl 6-bromo-7-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
CID 10448324
6-Bromo-8-fluoro-4-hydroxyquinoline-3-carboxylic acid
CID 4306835

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(hydroxymethyl)-1H-quinolin-4-one?
The IUPAC name of 6-bromo-3-(hydroxymethyl)-1H-quinolin-4-one (CID 142859421) is 6-bromo-3-(hydroxymethyl)-1H-quinolin-4-one.
What is the SMILES notation for 6-bromo-3-(hydroxymethyl)-1H-quinolin-4-one?
The canonical SMILES for 6-bromo-3-(hydroxymethyl)-1H-quinolin-4-one is O=c1c(CO)c[nH]c2ccc(Br)cc12.
What is the InChIKey of 6-bromo-3-(hydroxymethyl)-1H-quinolin-4-one?
The InChIKey is CLSVWKDUNSOJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2/c11-7-1-2-9-8(3-7)10(14)6(5-13)4-12-9/h1-4,13H,5H2,(H,12,14).
What are the key properties of 6-bromo-3-(hydroxymethyl)-1H-quinolin-4-one?
6-bromo-3-(hydroxymethyl)-1H-quinolin-4-one has a molecular weight of 254.08 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(hydroxymethyl)-1H-quinolin-4-one is sourced from PubChem (CID 142859421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).