(2-bromo-4-fluorophenyl)-(5-methoxy-3-pyridinyl)methanol

C13H11BrFNO2 — CID 115828878

IUPAC(2-bromo-4-fluorophenyl)-(5-methoxy-3-pyridinyl)methanol
SMILESCOc1cncc(C(O)c2ccc(F)cc2Br)c1
InChIInChI=1S/C13H11BrFNO2/c1-18-10-4-8(6-16-7-10)13(17)11-3-2-9(15)5-12(11)14/h2-7,13,17H,1H3
InChIKeyBXDDVOTZSUYQRX-UHFFFAOYSA-N
MW312.14 g/mol
LogP3.07
Rot. Bonds3

About (2-bromo-4-fluorophenyl)-(5-methoxy-3-pyridinyl)methanol

(2-bromo-4-fluorophenyl)-(5-methoxy-3-pyridinyl)methanol (PubChem CID 115828878) has the molecular formula C13H11BrFNO2 and a molecular weight of 312.14 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-(5-methoxy-3-pyridinyl)methanol.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-(5-methoxy-3-pyridinyl)methanol
PubChem CID115828878
Molecular FormulaC13H11BrFNO2
Molecular Weight312.14 g/mol
Exact Mass311.00
IUPAC Name(2-bromo-4-fluorophenyl)-(5-methoxy-3-pyridinyl)methanol
SMILESCOc1cncc(C(O)c2ccc(F)cc2Br)c1
InChIInChI=1S/C13H11BrFNO2/c1-18-10-4-8(6-16-7-10)13(17)11-3-2-9(15)5-12(11)14/h2-7,13,17H,1H3
InChIKeyBXDDVOTZSUYQRX-UHFFFAOYSA-N
XLogP3.07
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methoxy-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol
CID 115828863
(5-fluoro-3-pyridinyl)-(5-methoxy-3-pyridinyl)methanol
CID 105121302
(5-bromo-2-methylphenyl)-(5-methoxy-3-pyridinyl)methanol
CID 115828827
(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61101513
(5-bromoquinolin-8-yl)-(5-methoxy-3-pyridinyl)methanol
CID 115959972
(4-chloro-2,5-difluorophenyl)-(5-methoxy-3-pyridinyl)methanol
CID 115828955
(2-bromo-4-fluorophenyl)-(6-methyl-3-pyridinyl)methanol
CID 115796740
(2-bromo-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 63048959
(2-bromo-4-fluorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 115838561
(2-iodo-3-methylphenyl)-(5-methoxy-3-pyridinyl)methanol
CID 114030462
(2-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanol
CID 61082589
2,2-difluoro-1-(5-methoxy-3-pyridinyl)ethanol
CID 112575542

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-(5-methoxy-3-pyridinyl)methanol?
The IUPAC name of (2-bromo-4-fluorophenyl)-(5-methoxy-3-pyridinyl)methanol (CID 115828878) is (2-bromo-4-fluorophenyl)-(5-methoxy-3-pyridinyl)methanol.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-(5-methoxy-3-pyridinyl)methanol?
The canonical SMILES for (2-bromo-4-fluorophenyl)-(5-methoxy-3-pyridinyl)methanol is COc1cncc(C(O)c2ccc(F)cc2Br)c1.
What is the InChIKey of (2-bromo-4-fluorophenyl)-(5-methoxy-3-pyridinyl)methanol?
The InChIKey is BXDDVOTZSUYQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2/c1-18-10-4-8(6-16-7-10)13(17)11-3-2-9(15)5-12(11)14/h2-7,13,17H,1H3.
What are the key properties of (2-bromo-4-fluorophenyl)-(5-methoxy-3-pyridinyl)methanol?
(2-bromo-4-fluorophenyl)-(5-methoxy-3-pyridinyl)methanol has a molecular weight of 312.14 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-(5-methoxy-3-pyridinyl)methanol is sourced from PubChem (CID 115828878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).