5-bromo-2-chloro-N-[(2-chloro-4-fluorophenyl)methyl]pyridin-3-amine

C12H8BrCl2FN2 — CID 114064009

IUPAC5-bromo-2-chloro-N-[(2-chloro-4-fluorophenyl)methyl]pyridin-3-amine
SMILESFc1ccc(CNc2cc(Br)cnc2Cl)c(Cl)c1
InChIInChI=1S/C12H8BrCl2FN2/c13-8-3-11(12(15)18-6-8)17-5-7-1-2-9(16)4-10(7)14/h1-4,6,17H,5H2
InChIKeyKBJPDBDQAPTQGI-UHFFFAOYSA-N
MW350.02 g/mol
LogP4.90
Rot. Bonds3

About 5-bromo-2-chloro-N-[(2-chloro-4-fluorophenyl)methyl]pyridin-3-amine

5-bromo-2-chloro-N-[(2-chloro-4-fluorophenyl)methyl]pyridin-3-amine (PubChem CID 114064009) has the molecular formula C12H8BrCl2FN2 and a molecular weight of 350.02 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(2-chloro-4-fluorophenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(2-chloro-4-fluorophenyl)methyl]pyridin-3-amine
PubChem CID114064009
Molecular FormulaC12H8BrCl2FN2
Molecular Weight350.02 g/mol
Exact Mass347.92
IUPAC Name5-bromo-2-chloro-N-[(2-chloro-4-fluorophenyl)methyl]pyridin-3-amine
SMILESFc1ccc(CNc2cc(Br)cnc2Cl)c(Cl)c1
InChIInChI=1S/C12H8BrCl2FN2/c13-8-3-11(12(15)18-6-8)17-5-7-1-2-9(16)4-10(7)14/h1-4,6,17H,5H2
InChIKeyKBJPDBDQAPTQGI-UHFFFAOYSA-N
XLogP4.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.02
LogP ≤ 54.90
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

5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]pyridin-3-amine
CID 114051986
2-[[(5-bromo-2-chloro-3-pyridinyl)amino]methyl]-4-fluorophenol
CID 114051995
N-[(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline
CID 113470951
2,4-dibromo-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 63492584
2-bromo-4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 81270505
4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65469947
N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-2-iodoaniline
CID 79769585
3-bromo-N-[(2-chloro-5-fluorophenyl)methyl]quinolin-8-amine
CID 102616013
5-bromo-2-chloro-N-(4-fluorophenoxy)pyridin-3-amine
CID 143829728
5-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-chloropyridin-3-amine
CID 114052008
5-bromo-2-chloro-N-ethylpyridin-3-amine
CID 59619948
N-[(5-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline
CID 114076415

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(2-chloro-4-fluorophenyl)methyl]pyridin-3-amine?
The IUPAC name of 5-bromo-2-chloro-N-[(2-chloro-4-fluorophenyl)methyl]pyridin-3-amine (CID 114064009) is 5-bromo-2-chloro-N-[(2-chloro-4-fluorophenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-[(2-chloro-4-fluorophenyl)methyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-2-chloro-N-[(2-chloro-4-fluorophenyl)methyl]pyridin-3-amine is Fc1ccc(CNc2cc(Br)cnc2Cl)c(Cl)c1.
What is the InChIKey of 5-bromo-2-chloro-N-[(2-chloro-4-fluorophenyl)methyl]pyridin-3-amine?
The InChIKey is KBJPDBDQAPTQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2FN2/c13-8-3-11(12(15)18-6-8)17-5-7-1-2-9(16)4-10(7)14/h1-4,6,17H,5H2.
What are the key properties of 5-bromo-2-chloro-N-[(2-chloro-4-fluorophenyl)methyl]pyridin-3-amine?
5-bromo-2-chloro-N-[(2-chloro-4-fluorophenyl)methyl]pyridin-3-amine has a molecular weight of 350.02 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(2-chloro-4-fluorophenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 114064009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).