6-bromo-N-(4-ethoxy-3-fluorophenyl)pyridin-2-amine

C13H12BrFN2O — CID 113399791

IUPAC6-bromo-N-(4-ethoxy-3-fluorophenyl)pyridin-2-amine
SMILESCCOc1ccc(Nc2cccc(Br)n2)cc1F
InChIInChI=1S/C13H12BrFN2O/c1-2-18-11-7-6-9(8-10(11)15)16-13-5-3-4-12(14)17-13/h3-8H,2H2,1H3,(H,16,17)
InChIKeyQYGHUDOFMSGECM-UHFFFAOYSA-N
MW311.15 g/mol
LogP4.13
Rot. Bonds4

About 6-bromo-N-(4-ethoxy-3-fluorophenyl)pyridin-2-amine

6-bromo-N-(4-ethoxy-3-fluorophenyl)pyridin-2-amine (PubChem CID 113399791) has the molecular formula C13H12BrFN2O and a molecular weight of 311.15 g/mol. Its IUPAC name is 6-bromo-N-(4-ethoxy-3-fluorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(4-ethoxy-3-fluorophenyl)pyridin-2-amine
PubChem CID113399791
Molecular FormulaC13H12BrFN2O
Molecular Weight311.15 g/mol
Exact Mass310.01
IUPAC Name6-bromo-N-(4-ethoxy-3-fluorophenyl)pyridin-2-amine
SMILESCCOc1ccc(Nc2cccc(Br)n2)cc1F
InChIInChI=1S/C13H12BrFN2O/c1-2-18-11-7-6-9(8-10(11)15)16-13-5-3-4-12(14)17-13/h3-8H,2H2,1H3,(H,16,17)
InChIKeyQYGHUDOFMSGECM-UHFFFAOYSA-N
XLogP4.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-(3-ethoxyphenyl)pyridin-2-amine
CID 63961957
2-chloro-N-(4-ethoxy-3-fluorophenyl)pyrimidin-4-amine
CID 112699315
6-bromo-N-(3,4-dimethoxyphenyl)pyridin-2-amine
CID 63961087
4,6-dichloro-N-(4-ethoxy-3-fluorophenyl)-1,3,5-triazin-2-amine
CID 113399790
3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-methylpyridin-2-amine
CID 106877436
4-ethoxy-3-fluoro-N-methylaniline
CID 68516738
N-(chloromethyl)-4-ethoxy-3-fluoroaniline
CID 115262696
4-ethoxy-N-ethyl-3-fluoroaniline
CID 82490729
5-N-(4-ethoxy-3-fluorophenyl)pyridine-2,5-diamine
CID 113399696
N-(2-chloroethyl)-4-ethoxy-3-fluoroaniline
CID 115214595
6-bromo-N-(3-bromo-4-methylphenyl)pyridin-2-amine
CID 63961760
N-(4-ethoxy-3-fluorophenyl)-1,4-dimethylimidazol-2-amine
CID 106579931

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-ethoxy-3-fluorophenyl)pyridin-2-amine?
The IUPAC name of 6-bromo-N-(4-ethoxy-3-fluorophenyl)pyridin-2-amine (CID 113399791) is 6-bromo-N-(4-ethoxy-3-fluorophenyl)pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-(4-ethoxy-3-fluorophenyl)pyridin-2-amine?
The canonical SMILES for 6-bromo-N-(4-ethoxy-3-fluorophenyl)pyridin-2-amine is CCOc1ccc(Nc2cccc(Br)n2)cc1F.
What is the InChIKey of 6-bromo-N-(4-ethoxy-3-fluorophenyl)pyridin-2-amine?
The InChIKey is QYGHUDOFMSGECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O/c1-2-18-11-7-6-9(8-10(11)15)16-13-5-3-4-12(14)17-13/h3-8H,2H2,1H3,(H,16,17).
What are the key properties of 6-bromo-N-(4-ethoxy-3-fluorophenyl)pyridin-2-amine?
6-bromo-N-(4-ethoxy-3-fluorophenyl)pyridin-2-amine has a molecular weight of 311.15 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-ethoxy-3-fluorophenyl)pyridin-2-amine is sourced from PubChem (CID 113399791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).