N-(4-bromo-5-fluoro-2-methylphenyl)-2-chloropyridin-4-amine

C12H9BrClFN2 — CID 102824403

IUPACN-(4-bromo-5-fluoro-2-methylphenyl)-2-chloropyridin-4-amine
SMILESCc1cc(Br)c(F)cc1Nc1ccnc(Cl)c1
InChIInChI=1S/C12H9BrClFN2/c1-7-4-9(13)10(15)6-11(7)17-8-2-3-16-12(14)5-8/h2-6H,1H3,(H,16,17)
InChIKeyMDRTWODQBLUXPL-UHFFFAOYSA-N
MW315.57 g/mol
LogP4.69
Rot. Bonds2

About N-(4-bromo-5-fluoro-2-methylphenyl)-2-chloropyridin-4-amine

N-(4-bromo-5-fluoro-2-methylphenyl)-2-chloropyridin-4-amine (PubChem CID 102824403) has the molecular formula C12H9BrClFN2 and a molecular weight of 315.57 g/mol. Its IUPAC name is N-(4-bromo-5-fluoro-2-methylphenyl)-2-chloropyridin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-5-fluoro-2-methylphenyl)-2-chloropyridin-4-amine
PubChem CID102824403
Molecular FormulaC12H9BrClFN2
Molecular Weight315.57 g/mol
Exact Mass313.96
IUPAC NameN-(4-bromo-5-fluoro-2-methylphenyl)-2-chloropyridin-4-amine
SMILESCc1cc(Br)c(F)cc1Nc1ccnc(Cl)c1
InChIInChI=1S/C12H9BrClFN2/c1-7-4-9(13)10(15)6-11(7)17-8-2-3-16-12(14)5-8/h2-6H,1H3,(H,16,17)
InChIKeyMDRTWODQBLUXPL-UHFFFAOYSA-N
XLogP4.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.57
LogP ≤ 54.69
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

2-chloro-N-(2,4,5-trifluorophenyl)pyridin-4-amine
CID 102824187
4-(5-bromo-4-fluoro-2-methylanilino)pyridine-2-carbothioamide
CID 107592479
2-chloro-N-(2-fluoro-5-methylphenyl)pyridin-4-amine
CID 102823905
1-N-(2-chloro-4-pyridinyl)-2-fluorobenzene-1,4-diamine
CID 134408936
N-(4-bromo-2,6-difluorophenyl)-2-chloropyridin-4-amine
CID 102824263
N-(4-bromo-2-chlorophenyl)-2-chloropyridin-4-amine
CID 102824004
N-(3-bromo-4-chlorophenyl)-2-chloropyridin-4-amine
CID 102824308
4-bromo-2-N-(4-bromo-5-fluoro-2-methylphenyl)-5-fluorobenzene-1,2-diamine
CID 116736340
N-(4-bromo-5-fluoro-2-methylphenyl)-1-methylimidazol-2-amine
CID 106582320
N-(4-bromo-5-fluoro-2-methylphenyl)-3,5,6-trichloropyridin-2-amine
CID 102752038
3-N-(5-bromo-4-fluoro-2-methylphenyl)pyridine-2,3-diamine
CID 107591065
N-(5-bromo-2-methoxyphenyl)-2-chloropyridin-4-amine
CID 102824089

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-5-fluoro-2-methylphenyl)-2-chloropyridin-4-amine?
The IUPAC name of N-(4-bromo-5-fluoro-2-methylphenyl)-2-chloropyridin-4-amine (CID 102824403) is N-(4-bromo-5-fluoro-2-methylphenyl)-2-chloropyridin-4-amine.
What is the SMILES notation for N-(4-bromo-5-fluoro-2-methylphenyl)-2-chloropyridin-4-amine?
The canonical SMILES for N-(4-bromo-5-fluoro-2-methylphenyl)-2-chloropyridin-4-amine is Cc1cc(Br)c(F)cc1Nc1ccnc(Cl)c1.
What is the InChIKey of N-(4-bromo-5-fluoro-2-methylphenyl)-2-chloropyridin-4-amine?
The InChIKey is MDRTWODQBLUXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2/c1-7-4-9(13)10(15)6-11(7)17-8-2-3-16-12(14)5-8/h2-6H,1H3,(H,16,17).
What are the key properties of N-(4-bromo-5-fluoro-2-methylphenyl)-2-chloropyridin-4-amine?
N-(4-bromo-5-fluoro-2-methylphenyl)-2-chloropyridin-4-amine has a molecular weight of 315.57 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-5-fluoro-2-methylphenyl)-2-chloropyridin-4-amine is sourced from PubChem (CID 102824403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).