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

C8H14Cl2N2O2 — CID 10664

IUPAC4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride
SMILESCc1ncc(CO)c(CN)c1O.Cl.Cl
InChIInChI=1S/C8H12N2O2.2ClH/c1-5-8(12)7(2-9)6(4-11)3-10-5;;/h3,11-12H,2,4,9H2,1H3;2*1H
InChIKeyHNWCOANXZNKMLR-UHFFFAOYSA-N
MW241.12 g/mol
LogP0.89
Rot. Bonds2

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

4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride (PubChem CID 10664) has the molecular formula C8H14Cl2N2O2 and a molecular weight of 241.12 g/mol. Its IUPAC name is 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride
PubChem CID10664
Molecular FormulaC8H14Cl2N2O2
Molecular Weight241.12 g/mol
Exact Mass240.04
IUPAC Name4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride
SMILESCc1ncc(CO)c(CN)c1O.Cl.Cl
InChIInChI=1S/C8H12N2O2.2ClH/c1-5-8(12)7(2-9)6(4-11)3-10-5;;/h3,11-12H,2,4,9H2,1H3;2*1H
InChIKeyHNWCOANXZNKMLR-UHFFFAOYSA-N
XLogP0.89
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 50.89
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;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride (CID 10664) is 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride is Cc1ncc(CO)c(CN)c1O.Cl.Cl.
What is the InChIKey of 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride?
The InChIKey is HNWCOANXZNKMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2.2ClH/c1-5-8(12)7(2-9)6(4-11)3-10-5;;/h3,11-12H,2,4,9H2,1H3;2*1H.
What are the key properties of 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride?
4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride has a molecular weight of 241.12 g/mol, XLogP of 0.89, 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;dihydrochloride is sourced from PubChem (CID 10664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).