4-(4-bromophenyl)-2-fluoro-3-methoxypyridine

C12H9BrFNO — CID 163198018

IUPAC4-(4-bromophenyl)-2-fluoro-3-methoxypyridine
SMILESCOc1c(-c2ccc(Br)cc2)ccnc1F
InChIInChI=1S/C12H9BrFNO/c1-16-11-10(6-7-15-12(11)14)8-2-4-9(13)5-3-8/h2-7H,1H3
InChIKeyBJZGCJSBDOTOKC-UHFFFAOYSA-N
MW282.11 g/mol
LogP3.66
Rot. Bonds2

About 4-(4-bromophenyl)-2-fluoro-3-methoxypyridine

4-(4-bromophenyl)-2-fluoro-3-methoxypyridine (PubChem CID 163198018) has the molecular formula C12H9BrFNO and a molecular weight of 282.11 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-fluoro-3-methoxypyridine.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-fluoro-3-methoxypyridine
PubChem CID163198018
Molecular FormulaC12H9BrFNO
Molecular Weight282.11 g/mol
Exact Mass280.99
IUPAC Name4-(4-bromophenyl)-2-fluoro-3-methoxypyridine
SMILESCOc1c(-c2ccc(Br)cc2)ccnc1F
InChIInChI=1S/C12H9BrFNO/c1-16-11-10(6-7-15-12(11)14)8-2-4-9(13)5-3-8/h2-7H,1H3
InChIKeyBJZGCJSBDOTOKC-UHFFFAOYSA-N
XLogP3.66
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.11
LogP ≤ 53.66
H-Bond Donors ≤ 50
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-(4-bromophenyl)-2-fluoro-3-methoxypyridine?
The IUPAC name of 4-(4-bromophenyl)-2-fluoro-3-methoxypyridine (CID 163198018) is 4-(4-bromophenyl)-2-fluoro-3-methoxypyridine.
What is the SMILES notation for 4-(4-bromophenyl)-2-fluoro-3-methoxypyridine?
The canonical SMILES for 4-(4-bromophenyl)-2-fluoro-3-methoxypyridine is COc1c(-c2ccc(Br)cc2)ccnc1F.
What is the InChIKey of 4-(4-bromophenyl)-2-fluoro-3-methoxypyridine?
The InChIKey is BJZGCJSBDOTOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO/c1-16-11-10(6-7-15-12(11)14)8-2-4-9(13)5-3-8/h2-7H,1H3.
What are the key properties of 4-(4-bromophenyl)-2-fluoro-3-methoxypyridine?
4-(4-bromophenyl)-2-fluoro-3-methoxypyridine has a molecular weight of 282.11 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-fluoro-3-methoxypyridine is sourced from PubChem (CID 163198018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).