1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-ol

C15H13BrClF2NO2 — CID 67480605

IUPAC1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(F)c(Cl)c1C(C)C(O)c1cc(Br)cnc1F
InChIInChI=1S/C15H13BrClF2NO2/c1-7(12-11(22-2)4-3-10(18)13(12)17)14(21)9-5-8(16)6-20-15(9)19/h3-7,14,21H,1-2H3
InChIKeyOLVNGIOAMPIQLJ-UHFFFAOYSA-N
MW392.63 g/mol
LogP4.62
Rot. Bonds4

About 1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-ol

1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-ol (PubChem CID 67480605) has the molecular formula C15H13BrClF2NO2 and a molecular weight of 392.63 g/mol. Its IUPAC name is 1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-ol
PubChem CID67480605
Molecular FormulaC15H13BrClF2NO2
Molecular Weight392.63 g/mol
Exact Mass390.98
IUPAC Name1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(F)c(Cl)c1C(C)C(O)c1cc(Br)cnc1F
InChIInChI=1S/C15H13BrClF2NO2/c1-7(12-11(22-2)4-3-10(18)13(12)17)14(21)9-5-8(16)6-20-15(9)19/h3-7,14,21H,1-2H3
InChIKeyOLVNGIOAMPIQLJ-UHFFFAOYSA-N
XLogP4.62
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.63
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-ol with MolForge

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Related Compounds

1-(5-bromo-2-chloro-3-pyridinyl)-2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-one
CID 86679061
2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-amine
CID 83887883
5-bromo-3-[[2-chloro-6-(difluoromethoxy)-3-fluorophenyl]-methoxymethyl]-1H-pyrrolo[2,3-b]pyridine
CID 71042874
1-(2-chloro-3-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 115788734
1-[bromo-(5-bromo-2-methoxyphenyl)methyl]-2-chloro-3-fluorobenzene
CID 81461531
1-(5-bromo-2-methoxyphenyl)-2-chloropropan-1-ol
CID 116863652
(2-chloro-3-fluorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 115838575
2-bromo-1-(5-chloro-2-methoxyphenyl)propan-1-ol
CID 116863294
(1S,2S)-2-(5-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 71568461
2-(5-bromo-2-methoxyphenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 115779347
1-(2,3-difluoro-6-methoxyphenyl)ethanol
CID 58022414
6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine-3-carbonitrile;5-bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
CID 160915595

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-ol?
The IUPAC name of 1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-ol (CID 67480605) is 1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-ol?
The canonical SMILES for 1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-ol is COc1ccc(F)c(Cl)c1C(C)C(O)c1cc(Br)cnc1F.
What is the InChIKey of 1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-ol?
The InChIKey is OLVNGIOAMPIQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClF2NO2/c1-7(12-11(22-2)4-3-10(18)13(12)17)14(21)9-5-8(16)6-20-15(9)19/h3-7,14,21H,1-2H3.
What are the key properties of 1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-ol?
1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-ol has a molecular weight of 392.63 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluoro-3-pyridinyl)-2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 67480605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).