N-[(2-bromophenyl)methyl]-4-chloropyridin-3-amine

C12H10BrClN2 — CID 83166916

IUPACN-[(2-bromophenyl)methyl]-4-chloropyridin-3-amine
SMILESClc1ccncc1NCc1ccccc1Br
InChIInChI=1S/C12H10BrClN2/c13-10-4-2-1-3-9(10)7-16-12-8-15-6-5-11(12)14/h1-6,8,16H,7H2
InChIKeyUSUWXOMIUXAPBA-UHFFFAOYSA-N
MW297.58 g/mol
LogP4.11
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-4-chloropyridin-3-amine

N-[(2-bromophenyl)methyl]-4-chloropyridin-3-amine (PubChem CID 83166916) has the molecular formula C12H10BrClN2 and a molecular weight of 297.58 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-4-chloropyridin-3-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-4-chloropyridin-3-amine
PubChem CID83166916
Molecular FormulaC12H10BrClN2
Molecular Weight297.58 g/mol
Exact Mass295.97
IUPAC NameN-[(2-bromophenyl)methyl]-4-chloropyridin-3-amine
SMILESClc1ccncc1NCc1ccccc1Br
InChIInChI=1S/C12H10BrClN2/c13-10-4-2-1-3-9(10)7-16-12-8-15-6-5-11(12)14/h1-6,8,16H,7H2
InChIKeyUSUWXOMIUXAPBA-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.58
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-[[(4-chloro-3-pyridinyl)amino]methyl]phenol
CID 83165585
N-[(2-bromophenyl)methyl]isoquinolin-5-amine
CID 43229357
4-chloro-N-[(2-cyclopropylphenyl)methyl]pyridin-3-amine
CID 83167265
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-chloropyridin-3-amine
CID 83163614
N-[(2-bromophenyl)methyl]-6-chloroquinolin-8-amine
CID 43672427
N-[(3-bromo-4-methoxyphenyl)methyl]-4-chloropyridin-3-amine
CID 83167833
N-[(2-bromophenyl)methyl]-1H-imidazol-5-amine
CID 130608000
N-[(2-bromo-5-chlorophenyl)methyl]-4-methylpyridin-3-amine
CID 66161162
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-chloropyridin-3-amine
CID 83164197
N-[(2,3-dichlorophenyl)methyl]-4-methylpyridin-3-amine
CID 63329830
N-[3-[(2-bromophenyl)methylamino]-4-chlorophenyl]propanamide
CID 43679084
4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine
CID 83167191

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-4-chloropyridin-3-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-4-chloropyridin-3-amine (CID 83166916) is N-[(2-bromophenyl)methyl]-4-chloropyridin-3-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-4-chloropyridin-3-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-4-chloropyridin-3-amine is Clc1ccncc1NCc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-4-chloropyridin-3-amine?
The InChIKey is USUWXOMIUXAPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2/c13-10-4-2-1-3-9(10)7-16-12-8-15-6-5-11(12)14/h1-6,8,16H,7H2.
What are the key properties of N-[(2-bromophenyl)methyl]-4-chloropyridin-3-amine?
N-[(2-bromophenyl)methyl]-4-chloropyridin-3-amine has a molecular weight of 297.58 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-4-chloropyridin-3-amine is sourced from PubChem (CID 83166916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).