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

C13H13BrN2O2 — CID 79783055

IUPAC6-[(5-bromo-2-methoxyanilino)methyl]pyridin-3-ol
SMILESCOc1ccc(Br)cc1NCc1ccc(O)cn1
InChIInChI=1S/C13H13BrN2O2/c1-18-13-5-2-9(14)6-12(13)16-7-10-3-4-11(17)8-15-10/h2-6,8,16-17H,7H2,1H3
InChIKeyFZPHQGGWPXQEGF-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.17
Rot. Bonds4

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

6-[(5-bromo-2-methoxyanilino)methyl]pyridin-3-ol (PubChem CID 79783055) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 6-[(5-bromo-2-methoxyanilino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[(5-bromo-2-methoxyanilino)methyl]pyridin-3-ol
PubChem CID79783055
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name6-[(5-bromo-2-methoxyanilino)methyl]pyridin-3-ol
SMILESCOc1ccc(Br)cc1NCc1ccc(O)cn1
InChIInChI=1S/C13H13BrN2O2/c1-18-13-5-2-9(14)6-12(13)16-7-10-3-4-11(17)8-15-10/h2-6,8,16-17H,7H2,1H3
InChIKeyFZPHQGGWPXQEGF-UHFFFAOYSA-N
XLogP3.17
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2,5-dibromoanilino)methyl]pyridin-3-ol
CID 79782859
6-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]pyridin-3-ol
CID 79782269
5-bromo-2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61223553
6-[(2-methoxy-4-methylanilino)methyl]pyridin-3-ol
CID 79782889
6-[(2,4-dimethoxyanilino)methyl]pyridin-3-ol
CID 79775559
4-[(5-bromo-2-methoxyanilino)methyl]benzene-1,2-diol
CID 61059476
5-bromo-N-(1H-imidazol-5-ylmethyl)-2-methoxyaniline
CID 62761956
N-[[5-[(5-bromo-2-methoxyphenyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79782055
N'-(5-bromo-2-methoxyphenyl)-N-methylmethanediamine
CID 115226503
5-bromo-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 54968048
4-[(5-bromo-2-methoxyanilino)methyl]pyrimidine-5-carboxylic acid
CID 103247624
5-bromo-2-methoxy-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline
CID 64800296

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromo-2-methoxyanilino)methyl]pyridin-3-ol?
The IUPAC name of 6-[(5-bromo-2-methoxyanilino)methyl]pyridin-3-ol (CID 79783055) is 6-[(5-bromo-2-methoxyanilino)methyl]pyridin-3-ol.
What is the SMILES notation for 6-[(5-bromo-2-methoxyanilino)methyl]pyridin-3-ol?
The canonical SMILES for 6-[(5-bromo-2-methoxyanilino)methyl]pyridin-3-ol is COc1ccc(Br)cc1NCc1ccc(O)cn1.
What is the InChIKey of 6-[(5-bromo-2-methoxyanilino)methyl]pyridin-3-ol?
The InChIKey is FZPHQGGWPXQEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-18-13-5-2-9(14)6-12(13)16-7-10-3-4-11(17)8-15-10/h2-6,8,16-17H,7H2,1H3.
What are the key properties of 6-[(5-bromo-2-methoxyanilino)methyl]pyridin-3-ol?
6-[(5-bromo-2-methoxyanilino)methyl]pyridin-3-ol has a molecular weight of 309.16 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromo-2-methoxyanilino)methyl]pyridin-3-ol is sourced from PubChem (CID 79783055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).