2-[(4-bromo-3-methoxyanilino)methyl]-6-methylpyridin-3-ol

C14H15BrN2O2 — CID 79479389

IUPAC2-[(4-bromo-3-methoxyanilino)methyl]-6-methylpyridin-3-ol
SMILESCOc1cc(NCc2nc(C)ccc2O)ccc1Br
InChIInChI=1S/C14H15BrN2O2/c1-9-3-6-13(18)12(17-9)8-16-10-4-5-11(15)14(7-10)19-2/h3-7,16,18H,8H2,1-2H3
InChIKeyFETOUKBYAPXVHZ-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.48
Rot. Bonds4

About 2-[(4-bromo-3-methoxyanilino)methyl]-6-methylpyridin-3-ol

2-[(4-bromo-3-methoxyanilino)methyl]-6-methylpyridin-3-ol (PubChem CID 79479389) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 2-[(4-bromo-3-methoxyanilino)methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[(4-bromo-3-methoxyanilino)methyl]-6-methylpyridin-3-ol
PubChem CID79479389
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name2-[(4-bromo-3-methoxyanilino)methyl]-6-methylpyridin-3-ol
SMILESCOc1cc(NCc2nc(C)ccc2O)ccc1Br
InChIInChI=1S/C14H15BrN2O2/c1-9-3-6-13(18)12(17-9)8-16-10-4-5-11(15)14(7-10)19-2/h3-7,16,18H,8H2,1-2H3
InChIKeyFETOUKBYAPXVHZ-UHFFFAOYSA-N
XLogP3.48
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-bromo-5-methoxyanilino)methyl]-6-methylpyridin-3-ol
CID 79151320
4-[(4-bromo-3-methoxyanilino)methyl]benzene-1,2,3-triol
CID 103952983
2-[(3,4-difluoroanilino)methyl]-6-methylpyridin-3-ol
CID 79163518
N-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-2-methylphenyl]acetamide
CID 78964135
2-[[(3,4-dimethoxyphenyl)methylamino]methyl]-6-methylpyridin-3-ol
CID 78928448
2-[(2-bromo-4-fluoroanilino)methyl]-6-methylpyridin-3-ol
CID 79162906
6-methyl-2-[(3-methyl-4-nitroanilino)methyl]pyridin-3-ol
CID 79150682
4-bromo-N-[(3,5-dimethoxyphenyl)methyl]-3-methoxyaniline
CID 79480562
4-bromo-3-methoxy-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 79479165
4-bromo-3-methoxy-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 82857502
2-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-3-methoxybenzonitrile
CID 107467076
4-bromo-N-[(5-bromo-2-pyridinyl)methyl]-3-methoxyaniline
CID 79479390

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-3-methoxyanilino)methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[(4-bromo-3-methoxyanilino)methyl]-6-methylpyridin-3-ol (CID 79479389) is 2-[(4-bromo-3-methoxyanilino)methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[(4-bromo-3-methoxyanilino)methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[(4-bromo-3-methoxyanilino)methyl]-6-methylpyridin-3-ol is COc1cc(NCc2nc(C)ccc2O)ccc1Br.
What is the InChIKey of 2-[(4-bromo-3-methoxyanilino)methyl]-6-methylpyridin-3-ol?
The InChIKey is FETOUKBYAPXVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-9-3-6-13(18)12(17-9)8-16-10-4-5-11(15)14(7-10)19-2/h3-7,16,18H,8H2,1-2H3.
What are the key properties of 2-[(4-bromo-3-methoxyanilino)methyl]-6-methylpyridin-3-ol?
2-[(4-bromo-3-methoxyanilino)methyl]-6-methylpyridin-3-ol has a molecular weight of 323.19 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-3-methoxyanilino)methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 79479389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).