2-[(2-bromo-5-methoxyanilino)methyl]-6-methylpyridin-3-ol

C14H15BrN2O2 — CID 79151320

IUPAC2-[(2-bromo-5-methoxyanilino)methyl]-6-methylpyridin-3-ol
SMILESCOc1ccc(Br)c(NCc2nc(C)ccc2O)c1
InChIInChI=1S/C14H15BrN2O2/c1-9-3-6-14(18)13(17-9)8-16-12-7-10(19-2)4-5-11(12)15/h3-7,16,18H,8H2,1-2H3
InChIKeyCPKPHNQUACABLH-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.48
Rot. Bonds4

About 2-[(2-bromo-5-methoxyanilino)methyl]-6-methylpyridin-3-ol

2-[(2-bromo-5-methoxyanilino)methyl]-6-methylpyridin-3-ol (PubChem CID 79151320) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 2-[(2-bromo-5-methoxyanilino)methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[(2-bromo-5-methoxyanilino)methyl]-6-methylpyridin-3-ol
PubChem CID79151320
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name2-[(2-bromo-5-methoxyanilino)methyl]-6-methylpyridin-3-ol
SMILESCOc1ccc(Br)c(NCc2nc(C)ccc2O)c1
InChIInChI=1S/C14H15BrN2O2/c1-9-3-6-14(18)13(17-9)8-16-12-7-10(19-2)4-5-11(12)15/h3-7,16,18H,8H2,1-2H3
InChIKeyCPKPHNQUACABLH-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-[(4-bromo-3-methoxyanilino)methyl]-6-methylpyridin-3-ol
CID 79479389
2-bromo-5-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82892845
2-[(2-bromo-5-methylanilino)methyl]-4-methoxyphenol
CID 82761742
2-[(2-bromo-4-fluoroanilino)methyl]-6-methylpyridin-3-ol
CID 79162906
2,6-dibromo-4-[(2-bromo-5-methoxyanilino)methyl]phenol
CID 107740862
2-[(4-fluoro-2-methylanilino)methyl]-6-methylpyridin-3-ol
CID 79163164
2-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]-6-methylpyridin-3-ol
CID 81376228
2-bromo-N-[(3,5-difluorophenyl)methyl]-5-methoxyaniline
CID 105403175
6-methyl-2-[(naphthalen-1-ylamino)methyl]pyridin-3-ol
CID 79163427
2-[(2-iodoanilino)methyl]-6-methylpyridin-3-ol
CID 79162332
2-bromo-5-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115877164
2-(2-bromo-5-methoxyanilino)-N'-hydroxyethanimidamide
CID 77069981

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-methoxyanilino)methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[(2-bromo-5-methoxyanilino)methyl]-6-methylpyridin-3-ol (CID 79151320) is 2-[(2-bromo-5-methoxyanilino)methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[(2-bromo-5-methoxyanilino)methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[(2-bromo-5-methoxyanilino)methyl]-6-methylpyridin-3-ol is COc1ccc(Br)c(NCc2nc(C)ccc2O)c1.
What is the InChIKey of 2-[(2-bromo-5-methoxyanilino)methyl]-6-methylpyridin-3-ol?
The InChIKey is CPKPHNQUACABLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-9-3-6-14(18)13(17-9)8-16-12-7-10(19-2)4-5-11(12)15/h3-7,16,18H,8H2,1-2H3.
What are the key properties of 2-[(2-bromo-5-methoxyanilino)methyl]-6-methylpyridin-3-ol?
2-[(2-bromo-5-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-[(2-bromo-5-methoxyanilino)methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 79151320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).