(4-bromo-2-fluoro-6-methyl-3-pyridinyl)methanol

C7H7BrFNO — CID 22911319

IUPAC(4-bromo-2-fluoro-6-methyl-3-pyridinyl)methanol
SMILESCc1cc(Br)c(CO)c(F)n1
InChIInChI=1S/C7H7BrFNO/c1-4-2-6(8)5(3-11)7(9)10-4/h2,11H,3H2,1H3
InChIKeyQWSMGGJSGGZHFR-UHFFFAOYSA-N
MW220.04 g/mol
LogP1.78
Rot. Bonds1

About (4-bromo-2-fluoro-6-methyl-3-pyridinyl)methanol

(4-bromo-2-fluoro-6-methyl-3-pyridinyl)methanol (PubChem CID 22911319) has the molecular formula C7H7BrFNO and a molecular weight of 220.04 g/mol. Its IUPAC name is (4-bromo-2-fluoro-6-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(4-bromo-2-fluoro-6-methyl-3-pyridinyl)methanol
PubChem CID22911319
Molecular FormulaC7H7BrFNO
Molecular Weight220.04 g/mol
Exact Mass218.97
IUPAC Name(4-bromo-2-fluoro-6-methyl-3-pyridinyl)methanol
SMILESCc1cc(Br)c(CO)c(F)n1
InChIInChI=1S/C7H7BrFNO/c1-4-2-6(8)5(3-11)7(9)10-4/h2,11H,3H2,1H3
InChIKeyQWSMGGJSGGZHFR-UHFFFAOYSA-N
XLogP1.78
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.04
LogP ≤ 51.78
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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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluoro-6-methyl-3-pyridinyl)methanol?
The IUPAC name of (4-bromo-2-fluoro-6-methyl-3-pyridinyl)methanol (CID 22911319) is (4-bromo-2-fluoro-6-methyl-3-pyridinyl)methanol.
What is the SMILES notation for (4-bromo-2-fluoro-6-methyl-3-pyridinyl)methanol?
The canonical SMILES for (4-bromo-2-fluoro-6-methyl-3-pyridinyl)methanol is Cc1cc(Br)c(CO)c(F)n1.
What is the InChIKey of (4-bromo-2-fluoro-6-methyl-3-pyridinyl)methanol?
The InChIKey is QWSMGGJSGGZHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNO/c1-4-2-6(8)5(3-11)7(9)10-4/h2,11H,3H2,1H3.
What are the key properties of (4-bromo-2-fluoro-6-methyl-3-pyridinyl)methanol?
(4-bromo-2-fluoro-6-methyl-3-pyridinyl)methanol has a molecular weight of 220.04 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluoro-6-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 22911319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).