4-(anilinomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol

C14H16N2O2 — CID 20914667

IUPAC4-(anilinomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(CNc2ccccc2)c1O
InChIInChI=1S/C14H16N2O2/c1-10-14(18)13(11(9-17)7-15-10)8-16-12-5-3-2-4-6-12/h2-7,16-18H,8-9H2,1H3
InChIKeyXOUHMFLGCSEBDR-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.20
Rot. Bonds4

About 4-(anilinomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol

4-(anilinomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol (PubChem CID 20914667) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(anilinomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name4-(anilinomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID20914667
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-(anilinomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(CNc2ccccc2)c1O
InChIInChI=1S/C14H16N2O2/c1-10-14(18)13(11(9-17)7-15-10)8-16-12-5-3-2-4-6-12/h2-7,16-18H,8-9H2,1H3
InChIKeyXOUHMFLGCSEBDR-UHFFFAOYSA-N
XLogP2.20
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(anilinomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of 4-(anilinomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol (CID 20914667) is 4-(anilinomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 4-(anilinomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 4-(anilinomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol is Cc1ncc(CO)c(CNc2ccccc2)c1O.
What is the InChIKey of 4-(anilinomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The InChIKey is XOUHMFLGCSEBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-14(18)13(11(9-17)7-15-10)8-16-12-5-3-2-4-6-12/h2-7,16-18H,8-9H2,1H3.
What are the key properties of 4-(anilinomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol?
4-(anilinomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol has a molecular weight of 244.29 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(anilinomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 20914667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).