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

C13H12BrClN2O — CID 58268233

IUPAC2-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]pyridin-3-amine
SMILESCOc1ccc(CNc2cc(Cl)cnc2Br)cc1
InChIInChI=1S/C13H12BrClN2O/c1-18-11-4-2-9(3-5-11)7-16-12-6-10(15)8-17-13(12)14/h2-6,8,16H,7H2,1H3
InChIKeyPQEPJABUJZHFHV-UHFFFAOYSA-N
MW327.61 g/mol
LogP4.12
Rot. Bonds4

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

2-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]pyridin-3-amine (PubChem CID 58268233) has the molecular formula C13H12BrClN2O and a molecular weight of 327.61 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]pyridin-3-amine
PubChem CID58268233
Molecular FormulaC13H12BrClN2O
Molecular Weight327.61 g/mol
Exact Mass325.98
IUPAC Name2-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]pyridin-3-amine
SMILESCOc1ccc(CNc2cc(Cl)cnc2Br)cc1
InChIInChI=1S/C13H12BrClN2O/c1-18-11-4-2-9(3-5-11)7-16-12-6-10(15)8-17-13(12)14/h2-6,8,16H,7H2,1H3
InChIKeyPQEPJABUJZHFHV-UHFFFAOYSA-N
XLogP4.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 29285859
4-bromo-2-chloro-N-[(4-methoxyphenyl)methyl]aniline
CID 43347330
5-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine
CID 134419132
2-bromo-N-[(2-bromo-4-chlorophenyl)methyl]-5-chloropyridin-3-amine
CID 112749950
3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline
CID 23994439
methyl 6-bromo-4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate
CID 175275211
2-bromo-5-chloro-N-[(1-propylpyrazol-4-yl)methyl]pyridin-3-amine
CID 112749961
7-chloro-4-N-ethyl-5-N-[(4-methoxyphenyl)methyl]quinazoline-4,5-diamine
CID 168957193
(2-bromo-5-chloro-3-pyridinyl)-[(4-methoxyphenyl)methyl]carbamic acid
CID 143610345
4-bromo-2-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine
CID 65343343
4-bromo-1-N-[(4-methoxyphenyl)methyl]benzene-1,2-diamine
CID 28903349
5-chloro-N-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine
CID 90902051

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]pyridin-3-amine?
The IUPAC name of 2-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]pyridin-3-amine (CID 58268233) is 2-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 2-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]pyridin-3-amine?
The canonical SMILES for 2-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]pyridin-3-amine is COc1ccc(CNc2cc(Cl)cnc2Br)cc1.
What is the InChIKey of 2-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]pyridin-3-amine?
The InChIKey is PQEPJABUJZHFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O/c1-18-11-4-2-9(3-5-11)7-16-12-6-10(15)8-17-13(12)14/h2-6,8,16H,7H2,1H3.
What are the key properties of 2-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]pyridin-3-amine?
2-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]pyridin-3-amine has a molecular weight of 327.61 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 58268233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).