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

C8H12N2O2 — CID 1052

IUPAC4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(CN)c1O
InChIInChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3
InChIKeyNHZMQXZHNVQTQA-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.05
Rot. Bonds2

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

4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol (PubChem CID 1052) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID1052
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(CN)c1O
InChIInChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3
InChIKeyNHZMQXZHNVQTQA-UHFFFAOYSA-N
XLogP0.05
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol (CID 1052) is 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol is Cc1ncc(CO)c(CN)c1O.
What is the InChIKey of 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The InChIKey is NHZMQXZHNVQTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3.
What are the key properties of 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol?
4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol has a molecular weight of 168.20 g/mol, XLogP of 0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 1052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).