5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyridin-2-amine

C13H14BrN3O — CID 115773877

IUPAC5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyridin-2-amine
SMILESCOc1ccc(CNc2cc(C)c(Br)cn2)cn1
InChIInChI=1S/C13H14BrN3O/c1-9-5-12(16-8-11(9)14)15-6-10-3-4-13(18-2)17-7-10/h3-5,7-8H,6H2,1-2H3,(H,15,16)
InChIKeyVSEQXZNFIXQHHH-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.17
Rot. Bonds4

About 5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyridin-2-amine

5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyridin-2-amine (PubChem CID 115773877) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyridin-2-amine
PubChem CID115773877
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyridin-2-amine
SMILESCOc1ccc(CNc2cc(C)c(Br)cn2)cn1
InChIInChI=1S/C13H14BrN3O/c1-9-5-12(16-8-11(9)14)15-6-10-3-4-13(18-2)17-7-10/h3-5,7-8H,6H2,1-2H3,(H,15,16)
InChIKeyVSEQXZNFIXQHHH-UHFFFAOYSA-N
XLogP3.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-tribromo-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936392
5-bromo-N-[(3,4-difluorophenyl)methyl]-4-methylpyridin-2-amine
CID 115773984
5-bromo-4-methyl-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-2-amine
CID 115147130
ethane;N-[(6-methoxy-3-pyridinyl)methyl]-5,6-dimethylpyridin-2-amine
CID 143898459
2-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2,5-diamine
CID 62989531
6-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine
CID 55140338
6-N-[(6-methoxy-3-pyridinyl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122282197
8-bromo-N-[(6-methoxy-3-pyridinyl)methyl]quinolin-2-amine
CID 133370213
N-[(6-methoxy-3-pyridinyl)methyl]pyrazin-2-amine
CID 60710836
4-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-3-methylbenzenesulfonamide
CID 51320453
3-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline
CID 114936508
4-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136975577

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyridin-2-amine (CID 115773877) is 5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyridin-2-amine is COc1ccc(CNc2cc(C)c(Br)cn2)cn1.
What is the InChIKey of 5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyridin-2-amine?
The InChIKey is VSEQXZNFIXQHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-9-5-12(16-8-11(9)14)15-6-10-3-4-13(18-2)17-7-10/h3-5,7-8H,6H2,1-2H3,(H,15,16).
What are the key properties of 5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyridin-2-amine?
5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyridin-2-amine has a molecular weight of 308.18 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 115773877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).