(6-bromo-4-methylquinolin-2-yl)methanol

C11H10BrNO — CID 69058045

IUPAC(6-bromo-4-methylquinolin-2-yl)methanol
SMILESCc1cc(CO)nc2ccc(Br)cc12
InChIInChI=1S/C11H10BrNO/c1-7-4-9(6-14)13-11-3-2-8(12)5-10(7)11/h2-5,14H,6H2,1H3
InChIKeyJEWCCSSIMSZVEG-UHFFFAOYSA-N
MW252.11 g/mol
LogP2.80
Rot. Bonds1

About (6-bromo-4-methylquinolin-2-yl)methanol

(6-bromo-4-methylquinolin-2-yl)methanol (PubChem CID 69058045) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is (6-bromo-4-methylquinolin-2-yl)methanol.

Molecular Properties

Compound Name(6-bromo-4-methylquinolin-2-yl)methanol
PubChem CID69058045
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name(6-bromo-4-methylquinolin-2-yl)methanol
SMILESCc1cc(CO)nc2ccc(Br)cc12
InChIInChI=1S/C11H10BrNO/c1-7-4-9(6-14)13-11-3-2-8(12)5-10(7)11/h2-5,14H,6H2,1H3
InChIKeyJEWCCSSIMSZVEG-UHFFFAOYSA-N
XLogP2.80
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-4-methylquinolin-2-yl)methanol?
The IUPAC name of (6-bromo-4-methylquinolin-2-yl)methanol (CID 69058045) is (6-bromo-4-methylquinolin-2-yl)methanol.
What is the SMILES notation for (6-bromo-4-methylquinolin-2-yl)methanol?
The canonical SMILES for (6-bromo-4-methylquinolin-2-yl)methanol is Cc1cc(CO)nc2ccc(Br)cc12.
What is the InChIKey of (6-bromo-4-methylquinolin-2-yl)methanol?
The InChIKey is JEWCCSSIMSZVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c1-7-4-9(6-14)13-11-3-2-8(12)5-10(7)11/h2-5,14H,6H2,1H3.
What are the key properties of (6-bromo-4-methylquinolin-2-yl)methanol?
(6-bromo-4-methylquinolin-2-yl)methanol has a molecular weight of 252.11 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-4-methylquinolin-2-yl)methanol is sourced from PubChem (CID 69058045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).