2-bromo-3-chloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline

C13H12BrClN2O — CID 103478301

IUPAC2-bromo-3-chloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
SMILESCOc1cccc(CNc2cccc(Cl)c2Br)n1
InChIInChI=1S/C13H12BrClN2O/c1-18-12-7-2-4-9(17-12)8-16-11-6-3-5-10(15)13(11)14/h2-7,16H,8H2,1H3
InChIKeyZZIKFNLVBZJWGL-UHFFFAOYSA-N
MW327.61 g/mol
LogP4.12
Rot. Bonds4

About 2-bromo-3-chloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline

2-bromo-3-chloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline (PubChem CID 103478301) has the molecular formula C13H12BrClN2O and a molecular weight of 327.61 g/mol. Its IUPAC name is 2-bromo-3-chloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-3-chloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
PubChem CID103478301
Molecular FormulaC13H12BrClN2O
Molecular Weight327.61 g/mol
Exact Mass325.98
IUPAC Name2-bromo-3-chloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
SMILESCOc1cccc(CNc2cccc(Cl)c2Br)n1
InChIInChI=1S/C13H12BrClN2O/c1-18-12-7-2-4-9(17-12)8-16-11-6-3-5-10(15)13(11)14/h2-7,16H,8H2,1H3
InChIKeyZZIKFNLVBZJWGL-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

2,6-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 65468810
3-bromo-2-(methoxymethyl)-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63987060
3,4-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63993150
5-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylaniline
CID 63993319
4-chloro-2-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63985866
2,6-diethyl-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63986273
4-bromo-2,5-difluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 107610030
2-bromo-5-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 107633456
2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline
CID 103478606
2-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63991749
2-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylsulfonylaniline
CID 103347490
1-[2-[(6-methoxy-2-pyridinyl)methylamino]phenyl]ethanol
CID 103347703

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
The IUPAC name of 2-bromo-3-chloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline (CID 103478301) is 2-bromo-3-chloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 2-bromo-3-chloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
The canonical SMILES for 2-bromo-3-chloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline is COc1cccc(CNc2cccc(Cl)c2Br)n1.
What is the InChIKey of 2-bromo-3-chloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
The InChIKey is ZZIKFNLVBZJWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O/c1-18-12-7-2-4-9(17-12)8-16-11-6-3-5-10(15)13(11)14/h2-7,16H,8H2,1H3.
What are the key properties of 2-bromo-3-chloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline?
2-bromo-3-chloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline 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-3-chloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 103478301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).