4-(aminomethyl)-5-(hydroxymethyl)-2-methyl-1,2-dihydropyridin-3-ol

C8H14N2O2 — CID 147677830

IUPAC4-(aminomethyl)-5-(hydroxymethyl)-2-methyl-1,2-dihydropyridin-3-ol
SMILESCC1NC=C(CO)C(CN)=C1O
InChIInChI=1S/C8H14N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,5,10-12H,2,4,9H2,1H3
InChIKeyGOMWBJOBWZXZQV-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.37
Rot. Bonds2

About 4-(aminomethyl)-5-(hydroxymethyl)-2-methyl-1,2-dihydropyridin-3-ol

4-(aminomethyl)-5-(hydroxymethyl)-2-methyl-1,2-dihydropyridin-3-ol (PubChem CID 147677830) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 4-(aminomethyl)-5-(hydroxymethyl)-2-methyl-1,2-dihydropyridin-3-ol.

Molecular Properties

Compound Name4-(aminomethyl)-5-(hydroxymethyl)-2-methyl-1,2-dihydropyridin-3-ol
PubChem CID147677830
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name4-(aminomethyl)-5-(hydroxymethyl)-2-methyl-1,2-dihydropyridin-3-ol
SMILESCC1NC=C(CO)C(CN)=C1O
InChIInChI=1S/C8H14N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,5,10-12H,2,4,9H2,1H3
InChIKeyGOMWBJOBWZXZQV-UHFFFAOYSA-N
XLogP-0.37
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-(hydroxymethyl)-2-methyl-1,2-dihydropyridin-3-ol?
The IUPAC name of 4-(aminomethyl)-5-(hydroxymethyl)-2-methyl-1,2-dihydropyridin-3-ol (CID 147677830) is 4-(aminomethyl)-5-(hydroxymethyl)-2-methyl-1,2-dihydropyridin-3-ol.
What is the SMILES notation for 4-(aminomethyl)-5-(hydroxymethyl)-2-methyl-1,2-dihydropyridin-3-ol?
The canonical SMILES for 4-(aminomethyl)-5-(hydroxymethyl)-2-methyl-1,2-dihydropyridin-3-ol is CC1NC=C(CO)C(CN)=C1O.
What is the InChIKey of 4-(aminomethyl)-5-(hydroxymethyl)-2-methyl-1,2-dihydropyridin-3-ol?
The InChIKey is GOMWBJOBWZXZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,5,10-12H,2,4,9H2,1H3.
What are the key properties of 4-(aminomethyl)-5-(hydroxymethyl)-2-methyl-1,2-dihydropyridin-3-ol?
4-(aminomethyl)-5-(hydroxymethyl)-2-methyl-1,2-dihydropyridin-3-ol has a molecular weight of 170.21 g/mol, XLogP of -0.37, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-(hydroxymethyl)-2-methyl-1,2-dihydropyridin-3-ol is sourced from PubChem (CID 147677830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).