N-(4-bromo-2-ethylphenyl)-2-chloropyridin-4-amine

C13H12BrClN2 — CID 102824327

IUPACN-(4-bromo-2-ethylphenyl)-2-chloropyridin-4-amine
SMILESCCc1cc(Br)ccc1Nc1ccnc(Cl)c1
InChIInChI=1S/C13H12BrClN2/c1-2-9-7-10(14)3-4-12(9)17-11-5-6-16-13(15)8-11/h3-8H,2H2,1H3,(H,16,17)
InChIKeyBFPOSBNZMJDCTP-UHFFFAOYSA-N
MW311.61 g/mol
LogP4.80
Rot. Bonds3

About N-(4-bromo-2-ethylphenyl)-2-chloropyridin-4-amine

N-(4-bromo-2-ethylphenyl)-2-chloropyridin-4-amine (PubChem CID 102824327) has the molecular formula C13H12BrClN2 and a molecular weight of 311.61 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-2-chloropyridin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-2-chloropyridin-4-amine
PubChem CID102824327
Molecular FormulaC13H12BrClN2
Molecular Weight311.61 g/mol
Exact Mass309.99
IUPAC NameN-(4-bromo-2-ethylphenyl)-2-chloropyridin-4-amine
SMILESCCc1cc(Br)ccc1Nc1ccnc(Cl)c1
InChIInChI=1S/C13H12BrClN2/c1-2-9-7-10(14)3-4-12(9)17-11-5-6-16-13(15)8-11/h3-8H,2H2,1H3,(H,16,17)
InChIKeyBFPOSBNZMJDCTP-UHFFFAOYSA-N
XLogP4.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.61
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-chlorophenyl)-2-chloropyridin-4-amine
CID 102824004
N-(5-bromo-2-methoxyphenyl)-2-chloropyridin-4-amine
CID 102824089
5-bromo-N-(4-bromo-2-ethylphenyl)pyrimidin-2-amine
CID 81288979
5-N-(4-bromo-2-ethylphenyl)-3-N-methylpyridine-3,5-diamine
CID 104535480
N-(4-bromo-2-ethylphenyl)-5-chloro-3-fluoropyridin-2-amine
CID 81288206
2-chloro-N-(2-ethylthiophen-3-yl)pyridin-4-amine;prop-2-enoic acid
CID 174696301
N-(4-bromo-5-fluoro-2-methylphenyl)-2-chloropyridin-4-amine
CID 102824403
2-N-(4-bromo-2-ethylphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 81286955
N-(4-bromo-2,6-difluorophenyl)-2-chloropyridin-4-amine
CID 102824263
2-chloro-N-(4-chloro-2-iodophenyl)pyridin-4-amine
CID 107637140
4-N-(4-bromo-2-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 81288855
2-(4-bromo-2-ethylanilino)-5-chlorobenzonitrile
CID 81292836

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-2-chloropyridin-4-amine?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-2-chloropyridin-4-amine (CID 102824327) is N-(4-bromo-2-ethylphenyl)-2-chloropyridin-4-amine.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-2-chloropyridin-4-amine?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-2-chloropyridin-4-amine is CCc1cc(Br)ccc1Nc1ccnc(Cl)c1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-2-chloropyridin-4-amine?
The InChIKey is BFPOSBNZMJDCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2/c1-2-9-7-10(14)3-4-12(9)17-11-5-6-16-13(15)8-11/h3-8H,2H2,1H3,(H,16,17).
What are the key properties of N-(4-bromo-2-ethylphenyl)-2-chloropyridin-4-amine?
N-(4-bromo-2-ethylphenyl)-2-chloropyridin-4-amine has a molecular weight of 311.61 g/mol, XLogP of 4.80, 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)-2-chloropyridin-4-amine is sourced from PubChem (CID 102824327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).