N-(4-bromo-2-ethylphenyl)-5-chloro-3-fluoropyridin-2-amine

C13H11BrClFN2 — CID 81288206

IUPACN-(4-bromo-2-ethylphenyl)-5-chloro-3-fluoropyridin-2-amine
SMILESCCc1cc(Br)ccc1Nc1ncc(Cl)cc1F
InChIInChI=1S/C13H11BrClFN2/c1-2-8-5-9(14)3-4-12(8)18-13-11(16)6-10(15)7-17-13/h3-7H,2H2,1H3,(H,17,18)
InChIKeyATAZBPXXTQJUSE-UHFFFAOYSA-N
MW329.60 g/mol
LogP4.94
Rot. Bonds3

About N-(4-bromo-2-ethylphenyl)-5-chloro-3-fluoropyridin-2-amine

N-(4-bromo-2-ethylphenyl)-5-chloro-3-fluoropyridin-2-amine (PubChem CID 81288206) has the molecular formula C13H11BrClFN2 and a molecular weight of 329.60 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-5-chloro-3-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-5-chloro-3-fluoropyridin-2-amine
PubChem CID81288206
Molecular FormulaC13H11BrClFN2
Molecular Weight329.60 g/mol
Exact Mass327.98
IUPAC NameN-(4-bromo-2-ethylphenyl)-5-chloro-3-fluoropyridin-2-amine
SMILESCCc1cc(Br)ccc1Nc1ncc(Cl)cc1F
InChIInChI=1S/C13H11BrClFN2/c1-2-8-5-9(14)3-4-12(8)18-13-11(16)6-10(15)7-17-13/h3-7H,2H2,1H3,(H,17,18)
InChIKeyATAZBPXXTQJUSE-UHFFFAOYSA-N
XLogP4.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.60
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-methylphenyl)-5-chloro-3-fluoropyridin-2-amine
CID 82766697
5-bromo-N-(4-bromo-2-ethylphenyl)pyrimidin-2-amine
CID 81288979
5-chloro-N-(2-ethoxyphenyl)-3-fluoropyridin-2-amine
CID 79727364
N-(4-bromo-2-ethylphenyl)-2-chloroquinazolin-4-amine
CID 81289133
4-(4-bromo-2-ethylanilino)pyrimidine-5-carboxylic acid
CID 114214554
N-(4-bromo-2-ethylphenyl)-2-chloropyridin-4-amine
CID 102824327
N-(4-bromo-2-ethylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine
CID 81289293
4-N-(4-bromo-2-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 81288855
2-(4-bromo-2-ethylanilino)-5-chlorobenzonitrile
CID 81292836
5-chloro-N-(3,5-dimethylphenyl)-3-fluoropyridin-2-amine
CID 79727161
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
5-chloro-N-(2,5-dichloro-4-methylphenyl)-3-fluoropyridin-2-amine
CID 104728088

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-5-chloro-3-fluoropyridin-2-amine?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-5-chloro-3-fluoropyridin-2-amine (CID 81288206) is N-(4-bromo-2-ethylphenyl)-5-chloro-3-fluoropyridin-2-amine.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-5-chloro-3-fluoropyridin-2-amine?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-5-chloro-3-fluoropyridin-2-amine is CCc1cc(Br)ccc1Nc1ncc(Cl)cc1F.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-5-chloro-3-fluoropyridin-2-amine?
The InChIKey is ATAZBPXXTQJUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClFN2/c1-2-8-5-9(14)3-4-12(8)18-13-11(16)6-10(15)7-17-13/h3-7H,2H2,1H3,(H,17,18).
What are the key properties of N-(4-bromo-2-ethylphenyl)-5-chloro-3-fluoropyridin-2-amine?
N-(4-bromo-2-ethylphenyl)-5-chloro-3-fluoropyridin-2-amine has a molecular weight of 329.60 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-5-chloro-3-fluoropyridin-2-amine is sourced from PubChem (CID 81288206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).