3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine

C13H11BrCl2N2O — CID 103292888

IUPAC3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1cccc(Cl)c1CNc1ncc(Cl)cc1Br
InChIInChI=1S/C13H11BrCl2N2O/c1-19-12-4-2-3-11(16)9(12)7-18-13-10(14)5-8(15)6-17-13/h2-6H,7H2,1H3,(H,17,18)
InChIKeyUPLGLRFNPJCIID-UHFFFAOYSA-N
MW362.05 g/mol
LogP4.77
Rot. Bonds4

About 3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine

3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine (PubChem CID 103292888) has the molecular formula C13H11BrCl2N2O and a molecular weight of 362.05 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine
PubChem CID103292888
Molecular FormulaC13H11BrCl2N2O
Molecular Weight362.05 g/mol
Exact Mass359.94
IUPAC Name3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1cccc(Cl)c1CNc1ncc(Cl)cc1Br
InChIInChI=1S/C13H11BrCl2N2O/c1-19-12-4-2-3-11(16)9(12)7-18-13-10(14)5-8(15)6-17-13/h2-6H,7H2,1H3,(H,17,18)
InChIKeyUPLGLRFNPJCIID-UHFFFAOYSA-N
XLogP4.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.05
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-3-nitropyridin-2-amine
CID 103292790
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyrazin-2-amine
CID 103292832
5-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-3-amine
CID 103854608
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyridin-2-amine
CID 104624373
2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline
CID 103478606
4-N-[(2-chloro-6-methoxyphenyl)methyl]-5-methylpyrimidine-2,4-diamine
CID 103293639
3-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylaniline
CID 107630358
4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2,5-difluoroaniline
CID 107609933
N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 103292944
N-[(2-chloro-6-methoxyphenyl)methyl]-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 103293681
5-tert-butyl-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine
CID 107874949
3-bromo-5-chloro-N-[(2,4-difluorophenyl)methyl]pyridin-2-amine
CID 114835853

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine (CID 103292888) is 3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine is COc1cccc(Cl)c1CNc1ncc(Cl)cc1Br.
What is the InChIKey of 3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine?
The InChIKey is UPLGLRFNPJCIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2N2O/c1-19-12-4-2-3-11(16)9(12)7-18-13-10(14)5-8(15)6-17-13/h2-6H,7H2,1H3,(H,17,18).
What are the key properties of 3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine?
3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine has a molecular weight of 362.05 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 103292888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).