(5-bromo-2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol

C12H10BrFN2O2 — CID 103373427

IUPAC(5-bromo-2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol
SMILESCOc1ccc(C(O)c2cc(Br)ccc2F)nn1
InChIInChI=1S/C12H10BrFN2O2/c1-18-11-5-4-10(15-16-11)12(17)8-6-7(13)2-3-9(8)14/h2-6,12,17H,1H3
InChIKeyUPSYSWXTBBBQBC-UHFFFAOYSA-N
MW313.13 g/mol
LogP2.47
Rot. Bonds3

About (5-bromo-2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol

(5-bromo-2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol (PubChem CID 103373427) has the molecular formula C12H10BrFN2O2 and a molecular weight of 313.13 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol
PubChem CID103373427
Molecular FormulaC12H10BrFN2O2
Molecular Weight313.13 g/mol
Exact Mass311.99
IUPAC Name(5-bromo-2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol
SMILESCOc1ccc(C(O)c2cc(Br)ccc2F)nn1
InChIInChI=1S/C12H10BrFN2O2/c1-18-11-5-4-10(15-16-11)12(17)8-6-7(13)2-3-9(8)14/h2-6,12,17H,1H3
InChIKeyUPSYSWXTBBBQBC-UHFFFAOYSA-N
XLogP2.47
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.13
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-Methoxypyridazin-3-yl)-phenylmethanol
CID 10036246
[2-Fluoro-5-(6-methoxypyridazin-3-yl)phenyl]methanol
CID 56708792
(3-Bromo-4-fluorophenyl)-(6-difluoromethoxypyridazin-3-yl)methanol
CID 117696688
[6-(Difluoromethoxy)pyridazin-3-yl]-(4-fluoro-3-methylphenyl)methanol
CID 123305103
3-[(3-Bromo-4-fluorophenyl)methyl]-6-(difluoromethoxy)pyridazine
CID 144744909
(5-Bromo-2-chloro-4-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol
CID 155673924
2-(3-Bromo-2-fluorophenyl)-2-(6-methoxypyridazin-3-yl)acetonitrile
CID 178166960
6-[(2-Bromo-4-fluorophenyl)methoxy]-3,4-dimethylpyridazine
CID 60272570
6-[(4-Bromo-2-fluorophenyl)methoxy]-3,4-dimethylpyridazine
CID 60273022
[6-(2-Bromo-4-fluorophenoxy)pyridazin-3-yl]methanol
CID 61255864
[6-(4-Bromo-2-fluorophenoxy)pyridazin-3-yl]methanol
CID 61257753
[6-[(2-Fluorophenyl)methoxy]pyridazin-3-yl]methanol
CID 63937572

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol?
The IUPAC name of (5-bromo-2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol (CID 103373427) is (5-bromo-2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol is COc1ccc(C(O)c2cc(Br)ccc2F)nn1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol?
The InChIKey is UPSYSWXTBBBQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O2/c1-18-11-5-4-10(15-16-11)12(17)8-6-7(13)2-3-9(8)14/h2-6,12,17H,1H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol?
(5-bromo-2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol has a molecular weight of 313.13 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanol is sourced from PubChem (CID 103373427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).