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

C13H12BrClN2O — CID 103854608

IUPAC5-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-3-amine
SMILESCOc1cccc(Cl)c1CNc1cncc(Br)c1
InChIInChI=1S/C13H12BrClN2O/c1-18-13-4-2-3-12(15)11(13)8-17-10-5-9(14)6-16-7-10/h2-7,17H,8H2,1H3
InChIKeyQOLICYSKBDNMPK-UHFFFAOYSA-N
MW327.61 g/mol
LogP4.12
Rot. Bonds4

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

5-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-3-amine (PubChem CID 103854608) has the molecular formula C13H12BrClN2O and a molecular weight of 327.61 g/mol. Its IUPAC name is 5-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-3-amine
PubChem CID103854608
Molecular FormulaC13H12BrClN2O
Molecular Weight327.61 g/mol
Exact Mass325.98
IUPAC Name5-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-3-amine
SMILESCOc1cccc(Cl)c1CNc1cncc(Br)c1
InChIInChI=1S/C13H12BrClN2O/c1-18-13-4-2-3-12(15)11(13)8-17-10-5-9(14)6-16-7-10/h2-7,17H,8H2,1H3
InChIKeyQOLICYSKBDNMPK-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

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Related Compounds

5-bromo-N-[(2,6-dimethylphenyl)methyl]pyridin-3-amine
CID 113260946
3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine
CID 103292888
2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline
CID 103478606
N-[(2-chloro-6-methoxyphenyl)methyl]-4-iodoaniline
CID 104815730
4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoroaniline
CID 104815657
5-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbonitrile
CID 103292558
5-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbothioamide
CID 103292610
N-[(2-chloro-6-methoxyphenyl)methyl]-4-methylpyridin-3-amine
CID 113434216
5-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylphenol
CID 107700839
N-[(2-chloro-6-methoxyphenyl)methyl]-6-nitropyridin-3-amine
CID 103292899
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-3-amine (CID 103854608) is 5-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-3-amine is COc1cccc(Cl)c1CNc1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-3-amine?
The InChIKey is QOLICYSKBDNMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O/c1-18-13-4-2-3-12(15)11(13)8-17-10-5-9(14)6-16-7-10/h2-7,17H,8H2,1H3.
What are the key properties of 5-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-3-amine?
5-bromo-N-[(2-chloro-6-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 5-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 103854608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).