N-[(3-bromophenyl)methyl]-3,5-dichloropyridin-2-amine

C12H9BrCl2N2 — CID 63541171

IUPACN-[(3-bromophenyl)methyl]-3,5-dichloropyridin-2-amine
SMILESClc1cnc(NCc2cccc(Br)c2)c(Cl)c1
InChIInChI=1S/C12H9BrCl2N2/c13-9-3-1-2-8(4-9)6-16-12-11(15)5-10(14)7-17-12/h1-5,7H,6H2,(H,16,17)
InChIKeyUFEGMVDBVWLZQT-UHFFFAOYSA-N
MW332.03 g/mol
LogP4.76
Rot. Bonds3

About N-[(3-bromophenyl)methyl]-3,5-dichloropyridin-2-amine

N-[(3-bromophenyl)methyl]-3,5-dichloropyridin-2-amine (PubChem CID 63541171) has the molecular formula C12H9BrCl2N2 and a molecular weight of 332.03 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-3,5-dichloropyridin-2-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-3,5-dichloropyridin-2-amine
PubChem CID63541171
Molecular FormulaC12H9BrCl2N2
Molecular Weight332.03 g/mol
Exact Mass329.93
IUPAC NameN-[(3-bromophenyl)methyl]-3,5-dichloropyridin-2-amine
SMILESClc1cnc(NCc2cccc(Br)c2)c(Cl)c1
InChIInChI=1S/C12H9BrCl2N2/c13-9-3-1-2-8(4-9)6-16-12-11(15)5-10(14)7-17-12/h1-5,7H,6H2,(H,16,17)
InChIKeyUFEGMVDBVWLZQT-UHFFFAOYSA-N
XLogP4.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.03
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)methyl]-2,5-dichloropyrimidin-4-amine
CID 79632289
5-bromo-N-[(3-bromophenyl)methyl]-3-methylpyridin-2-amine
CID 79718282
[3-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 114836485
5-bromo-3-chloro-N-[(3-nitrophenyl)methyl]pyridin-2-amine
CID 103580153
3,5-dichloro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 29285859
3,5-dichloro-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 43242469
N-[(3-bromophenyl)methyl]-4-chlorophthalazin-1-amine
CID 62141748
5-bromo-3-chloro-N-[(4-ethylphenyl)methyl]pyridin-2-amine
CID 106900156
N-[(4-aminophenyl)methyl]-5-bromo-3-chloropyridin-2-amine
CID 103582888
N-[(3-bromophenyl)methyl]-6-chloro-5-propylpyrimidin-4-amine
CID 63729624
N-[(3-bromophenyl)methyl]-6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 63729625
[3-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231800

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-3,5-dichloropyridin-2-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-3,5-dichloropyridin-2-amine (CID 63541171) is N-[(3-bromophenyl)methyl]-3,5-dichloropyridin-2-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-3,5-dichloropyridin-2-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-3,5-dichloropyridin-2-amine is Clc1cnc(NCc2cccc(Br)c2)c(Cl)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-3,5-dichloropyridin-2-amine?
The InChIKey is UFEGMVDBVWLZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N2/c13-9-3-1-2-8(4-9)6-16-12-11(15)5-10(14)7-17-12/h1-5,7H,6H2,(H,16,17).
What are the key properties of N-[(3-bromophenyl)methyl]-3,5-dichloropyridin-2-amine?
N-[(3-bromophenyl)methyl]-3,5-dichloropyridin-2-amine has a molecular weight of 332.03 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-3,5-dichloropyridin-2-amine is sourced from PubChem (CID 63541171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).