[2-(methylamino)-1,2-dihydropyridin-3-yl]methanol

C7H12N2O — CID 86340421

IUPAC[2-(methylamino)-1,2-dihydropyridin-3-yl]methanol
SMILESCNC1NC=CC=C1CO
InChIInChI=1S/C7H12N2O/c1-8-7-6(5-10)3-2-4-9-7/h2-4,7-10H,5H2,1H3
InChIKeyANXJVOVRXFPNBM-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.43
Rot. Bonds2

About [2-(methylamino)-1,2-dihydropyridin-3-yl]methanol

[2-(methylamino)-1,2-dihydropyridin-3-yl]methanol (PubChem CID 86340421) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is [2-(methylamino)-1,2-dihydropyridin-3-yl]methanol.

Molecular Properties

Compound Name[2-(methylamino)-1,2-dihydropyridin-3-yl]methanol
PubChem CID86340421
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name[2-(methylamino)-1,2-dihydropyridin-3-yl]methanol
SMILESCNC1NC=CC=C1CO
InChIInChI=1S/C7H12N2O/c1-8-7-6(5-10)3-2-4-9-7/h2-4,7-10H,5H2,1H3
InChIKeyANXJVOVRXFPNBM-UHFFFAOYSA-N
XLogP-0.43
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-1,2-dihydropyridin-3-yl]methanol?
The IUPAC name of [2-(methylamino)-1,2-dihydropyridin-3-yl]methanol (CID 86340421) is [2-(methylamino)-1,2-dihydropyridin-3-yl]methanol.
What is the SMILES notation for [2-(methylamino)-1,2-dihydropyridin-3-yl]methanol?
The canonical SMILES for [2-(methylamino)-1,2-dihydropyridin-3-yl]methanol is CNC1NC=CC=C1CO.
What is the InChIKey of [2-(methylamino)-1,2-dihydropyridin-3-yl]methanol?
The InChIKey is ANXJVOVRXFPNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-8-7-6(5-10)3-2-4-9-7/h2-4,7-10H,5H2,1H3.
What are the key properties of [2-(methylamino)-1,2-dihydropyridin-3-yl]methanol?
[2-(methylamino)-1,2-dihydropyridin-3-yl]methanol has a molecular weight of 140.19 g/mol, XLogP of -0.43, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-1,2-dihydropyridin-3-yl]methanol is sourced from PubChem (CID 86340421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).