(2-bromo-7-fluoro-4,6-dimethylquinolin-3-yl)methanol

C12H11BrFNO — CID 178041010

IUPAC(2-bromo-7-fluoro-4,6-dimethylquinolin-3-yl)methanol
SMILESCc1cc2c(C)c(CO)c(Br)nc2cc1F
InChIInChI=1S/C12H11BrFNO/c1-6-3-8-7(2)9(5-16)12(13)15-11(8)4-10(6)14/h3-4,16H,5H2,1-2H3
InChIKeyRFKAIONQHRATLP-UHFFFAOYSA-N
MW284.13 g/mol
LogP3.25
Rot. Bonds1

About (2-bromo-7-fluoro-4,6-dimethylquinolin-3-yl)methanol

(2-bromo-7-fluoro-4,6-dimethylquinolin-3-yl)methanol (PubChem CID 178041010) has the molecular formula C12H11BrFNO and a molecular weight of 284.13 g/mol. Its IUPAC name is (2-bromo-7-fluoro-4,6-dimethylquinolin-3-yl)methanol.

Molecular Properties

Compound Name(2-bromo-7-fluoro-4,6-dimethylquinolin-3-yl)methanol
PubChem CID178041010
Molecular FormulaC12H11BrFNO
Molecular Weight284.13 g/mol
Exact Mass283.00
IUPAC Name(2-bromo-7-fluoro-4,6-dimethylquinolin-3-yl)methanol
SMILESCc1cc2c(C)c(CO)c(Br)nc2cc1F
InChIInChI=1S/C12H11BrFNO/c1-6-3-8-7(2)9(5-16)12(13)15-11(8)4-10(6)14/h3-4,16H,5H2,1-2H3
InChIKeyRFKAIONQHRATLP-UHFFFAOYSA-N
XLogP3.25
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-3-fluoro-5,6-dimethylphenyl)methanol
CID 84696348
[2-bromo-6-(difluoromethyl)-4-methyl-3-pyridinyl]methanol
CID 119006188
4-chloro-3-ethyl-7-fluoro-2,6-dimethylquinoline
CID 103996076
6-fluoro-7,9-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 176630668
2-ethyl-6-fluoro-3,4,7-trimethylquinoline
CID 165443842
(2-ethyl-7-fluoro-3,6-dimethylquinolin-4-yl)hydrazine
CID 103996238
2-bromo-7-fluoro-6-methylquinoline
CID 102941278
4-bromo-3-chloro-7-fluoro-6-methylquinoline
CID 114764153
3-(4-bromo-2,6-dimethylphenyl)-2-ethyl-7-fluoro-6-methylquinazolin-4-one;ethane
CID 162386122
[2,6-difluoro-4-(2-trimethylsilylethynyl)phenyl]methanol
CID 151363788
7-fluoro-4-methoxy-6-methylquinoline-2-carboxylic acid
CID 102942124
N-ethyl-7-fluoro-6-methyl-2-propylquinolin-4-amine
CID 103996204

Frequently Asked Questions

What is the IUPAC name of (2-bromo-7-fluoro-4,6-dimethylquinolin-3-yl)methanol?
The IUPAC name of (2-bromo-7-fluoro-4,6-dimethylquinolin-3-yl)methanol (CID 178041010) is (2-bromo-7-fluoro-4,6-dimethylquinolin-3-yl)methanol.
What is the SMILES notation for (2-bromo-7-fluoro-4,6-dimethylquinolin-3-yl)methanol?
The canonical SMILES for (2-bromo-7-fluoro-4,6-dimethylquinolin-3-yl)methanol is Cc1cc2c(C)c(CO)c(Br)nc2cc1F.
What is the InChIKey of (2-bromo-7-fluoro-4,6-dimethylquinolin-3-yl)methanol?
The InChIKey is RFKAIONQHRATLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO/c1-6-3-8-7(2)9(5-16)12(13)15-11(8)4-10(6)14/h3-4,16H,5H2,1-2H3.
What are the key properties of (2-bromo-7-fluoro-4,6-dimethylquinolin-3-yl)methanol?
(2-bromo-7-fluoro-4,6-dimethylquinolin-3-yl)methanol has a molecular weight of 284.13 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-7-fluoro-4,6-dimethylquinolin-3-yl)methanol is sourced from PubChem (CID 178041010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).