2-(3-bromo-2,4-dimethoxyphenyl)-4-fluoropyridine

C13H11BrFNO2 — CID 103523994

IUPAC2-(3-bromo-2,4-dimethoxyphenyl)-4-fluoropyridine
SMILESCOc1ccc(-c2cc(F)ccn2)c(OC)c1Br
InChIInChI=1S/C13H11BrFNO2/c1-17-11-4-3-9(13(18-2)12(11)14)10-7-8(15)5-6-16-10/h3-7H,1-2H3
InChIKeySLGCPGRHNGEPFN-UHFFFAOYSA-N
MW312.14 g/mol
LogP3.67
Rot. Bonds3

About 2-(3-bromo-2,4-dimethoxyphenyl)-4-fluoropyridine

2-(3-bromo-2,4-dimethoxyphenyl)-4-fluoropyridine (PubChem CID 103523994) has the molecular formula C13H11BrFNO2 and a molecular weight of 312.14 g/mol. Its IUPAC name is 2-(3-bromo-2,4-dimethoxyphenyl)-4-fluoropyridine.

Molecular Properties

Compound Name2-(3-bromo-2,4-dimethoxyphenyl)-4-fluoropyridine
PubChem CID103523994
Molecular FormulaC13H11BrFNO2
Molecular Weight312.14 g/mol
Exact Mass311.00
IUPAC Name2-(3-bromo-2,4-dimethoxyphenyl)-4-fluoropyridine
SMILESCOc1ccc(-c2cc(F)ccn2)c(OC)c1Br
InChIInChI=1S/C13H11BrFNO2/c1-17-11-4-3-9(13(18-2)12(11)14)10-7-8(15)5-6-16-10/h3-7H,1-2H3
InChIKeySLGCPGRHNGEPFN-UHFFFAOYSA-N
XLogP3.67
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,4-dimethoxyphenyl)-4-fluoropyridine?
The IUPAC name of 2-(3-bromo-2,4-dimethoxyphenyl)-4-fluoropyridine (CID 103523994) is 2-(3-bromo-2,4-dimethoxyphenyl)-4-fluoropyridine.
What is the SMILES notation for 2-(3-bromo-2,4-dimethoxyphenyl)-4-fluoropyridine?
The canonical SMILES for 2-(3-bromo-2,4-dimethoxyphenyl)-4-fluoropyridine is COc1ccc(-c2cc(F)ccn2)c(OC)c1Br.
What is the InChIKey of 2-(3-bromo-2,4-dimethoxyphenyl)-4-fluoropyridine?
The InChIKey is SLGCPGRHNGEPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2/c1-17-11-4-3-9(13(18-2)12(11)14)10-7-8(15)5-6-16-10/h3-7H,1-2H3.
What are the key properties of 2-(3-bromo-2,4-dimethoxyphenyl)-4-fluoropyridine?
2-(3-bromo-2,4-dimethoxyphenyl)-4-fluoropyridine has a molecular weight of 312.14 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,4-dimethoxyphenyl)-4-fluoropyridine is sourced from PubChem (CID 103523994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).