6-[(2,4-dimethoxyanilino)methyl]pyridin-3-ol

C14H16N2O3 — CID 79775559

IUPAC6-[(2,4-dimethoxyanilino)methyl]pyridin-3-ol
SMILESCOc1ccc(NCc2ccc(O)cn2)c(OC)c1
InChIInChI=1S/C14H16N2O3/c1-18-12-5-6-13(14(7-12)19-2)16-8-10-3-4-11(17)9-15-10/h3-7,9,16-17H,8H2,1-2H3
InChIKeyKKQMBBHTXPJJGX-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.42
Rot. Bonds5

About 6-[(2,4-dimethoxyanilino)methyl]pyridin-3-ol

6-[(2,4-dimethoxyanilino)methyl]pyridin-3-ol (PubChem CID 79775559) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 6-[(2,4-dimethoxyanilino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[(2,4-dimethoxyanilino)methyl]pyridin-3-ol
PubChem CID79775559
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name6-[(2,4-dimethoxyanilino)methyl]pyridin-3-ol
SMILESCOc1ccc(NCc2ccc(O)cn2)c(OC)c1
InChIInChI=1S/C14H16N2O3/c1-18-12-5-6-13(14(7-12)19-2)16-8-10-3-4-11(17)9-15-10/h3-7,9,16-17H,8H2,1-2H3
InChIKeyKKQMBBHTXPJJGX-UHFFFAOYSA-N
XLogP2.42
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

6-[(2-methoxy-4-methylanilino)methyl]pyridin-3-ol
CID 79782889
2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol
CID 61268572
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
2,4-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 43663822
6-[(2-propan-2-yloxyanilino)methyl]pyridin-3-ol
CID 79782862
6-[(2,4-dimethoxyanilino)methyl]pyridine-2-carboxylic acid
CID 106904347
N-(1H-imidazol-2-ylmethyl)-2,4-dimethoxyaniline
CID 54976157
4-[(5-hydroxy-2-pyridinyl)methylamino]-3-methylbenzamide
CID 79776352
N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxyaniline
CID 28537972
2-[(2,4-dimethoxyanilino)methyl]-6-methylphenol
CID 115904030
1-(2,4-dimethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]methanamine
CID 80708230

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dimethoxyanilino)methyl]pyridin-3-ol?
The IUPAC name of 6-[(2,4-dimethoxyanilino)methyl]pyridin-3-ol (CID 79775559) is 6-[(2,4-dimethoxyanilino)methyl]pyridin-3-ol.
What is the SMILES notation for 6-[(2,4-dimethoxyanilino)methyl]pyridin-3-ol?
The canonical SMILES for 6-[(2,4-dimethoxyanilino)methyl]pyridin-3-ol is COc1ccc(NCc2ccc(O)cn2)c(OC)c1.
What is the InChIKey of 6-[(2,4-dimethoxyanilino)methyl]pyridin-3-ol?
The InChIKey is KKQMBBHTXPJJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-18-12-5-6-13(14(7-12)19-2)16-8-10-3-4-11(17)9-15-10/h3-7,9,16-17H,8H2,1-2H3.
What are the key properties of 6-[(2,4-dimethoxyanilino)methyl]pyridin-3-ol?
6-[(2,4-dimethoxyanilino)methyl]pyridin-3-ol has a molecular weight of 260.29 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dimethoxyanilino)methyl]pyridin-3-ol is sourced from PubChem (CID 79775559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).