N-(3-bromo-4-chlorophenyl)-2-chloropyridin-4-amine

C11H7BrCl2N2 — CID 102824308

IUPACN-(3-bromo-4-chlorophenyl)-2-chloropyridin-4-amine
SMILESClc1cc(Nc2ccc(Cl)c(Br)c2)ccn1
InChIInChI=1S/C11H7BrCl2N2/c12-9-5-7(1-2-10(9)13)16-8-3-4-15-11(14)6-8/h1-6H,(H,15,16)
InChIKeyPRQRUQUTSNJTAJ-UHFFFAOYSA-N
MW318.00 g/mol
LogP4.89
Rot. Bonds2

About N-(3-bromo-4-chlorophenyl)-2-chloropyridin-4-amine

N-(3-bromo-4-chlorophenyl)-2-chloropyridin-4-amine (PubChem CID 102824308) has the molecular formula C11H7BrCl2N2 and a molecular weight of 318.00 g/mol. Its IUPAC name is N-(3-bromo-4-chlorophenyl)-2-chloropyridin-4-amine.

Molecular Properties

Compound NameN-(3-bromo-4-chlorophenyl)-2-chloropyridin-4-amine
PubChem CID102824308
Molecular FormulaC11H7BrCl2N2
Molecular Weight318.00 g/mol
Exact Mass315.92
IUPAC NameN-(3-bromo-4-chlorophenyl)-2-chloropyridin-4-amine
SMILESClc1cc(Nc2ccc(Cl)c(Br)c2)ccn1
InChIInChI=1S/C11H7BrCl2N2/c12-9-5-7(1-2-10(9)13)16-8-3-4-15-11(14)6-8/h1-6H,(H,15,16)
InChIKeyPRQRUQUTSNJTAJ-UHFFFAOYSA-N
XLogP4.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.00
LogP ≤ 54.89
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

3-bromo-4-chloro-N-(2-chloro-4-pyridinyl)benzamide
CID 107999613
N-(3-bromo-4-chlorophenyl)-1H-imidazol-2-amine
CID 106576619
N-(4-bromo-2-chlorophenyl)-2-chloropyridin-4-amine
CID 102824004
N-(4-bromo-2,6-difluorophenyl)-2-chloropyridin-4-amine
CID 102824263
N-(4-bromo-5-fluoro-2-methylphenyl)-2-chloropyridin-4-amine
CID 102824403
4-N-(4-bromo-3-chlorophenyl)-2-N-methylpyridine-2,4-diamine
CID 107617821
5-[(2-chloro-4-pyridinyl)amino]-2-fluorobenzonitrile
CID 102824174
N-(3-bromo-4-chlorophenyl)-1-phenylimidazol-2-amine
CID 106576639
N-(3-bromo-4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105381393
2-chloro-N-(2,4,5-trifluorophenyl)pyridin-4-amine
CID 102824187
N-(4-bromo-2-ethylphenyl)-2-chloropyridin-4-amine
CID 102824327
N-(5-bromo-2-methoxyphenyl)-2-chloropyridin-4-amine
CID 102824089

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-chlorophenyl)-2-chloropyridin-4-amine?
The IUPAC name of N-(3-bromo-4-chlorophenyl)-2-chloropyridin-4-amine (CID 102824308) is N-(3-bromo-4-chlorophenyl)-2-chloropyridin-4-amine.
What is the SMILES notation for N-(3-bromo-4-chlorophenyl)-2-chloropyridin-4-amine?
The canonical SMILES for N-(3-bromo-4-chlorophenyl)-2-chloropyridin-4-amine is Clc1cc(Nc2ccc(Cl)c(Br)c2)ccn1.
What is the InChIKey of N-(3-bromo-4-chlorophenyl)-2-chloropyridin-4-amine?
The InChIKey is PRQRUQUTSNJTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2N2/c12-9-5-7(1-2-10(9)13)16-8-3-4-15-11(14)6-8/h1-6H,(H,15,16).
What are the key properties of N-(3-bromo-4-chlorophenyl)-2-chloropyridin-4-amine?
N-(3-bromo-4-chlorophenyl)-2-chloropyridin-4-amine has a molecular weight of 318.00 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-chlorophenyl)-2-chloropyridin-4-amine is sourced from PubChem (CID 102824308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).