(3-methoxy-1,2-dihydropyridin-2-yl)methanol

C7H11NO2 — CID 173058034

IUPAC(3-methoxy-1,2-dihydropyridin-2-yl)methanol
SMILESCOC1=CC=CNC1CO
InChIInChI=1S/C7H11NO2/c1-10-7-3-2-4-8-6(7)5-9/h2-4,6,8-9H,5H2,1H3
InChIKeyDHTIFOAAKNOZCL-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.01
Rot. Bonds2

About (3-methoxy-1,2-dihydropyridin-2-yl)methanol

(3-methoxy-1,2-dihydropyridin-2-yl)methanol (PubChem CID 173058034) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (3-methoxy-1,2-dihydropyridin-2-yl)methanol.

Molecular Properties

Compound Name(3-methoxy-1,2-dihydropyridin-2-yl)methanol
PubChem CID173058034
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(3-methoxy-1,2-dihydropyridin-2-yl)methanol
SMILESCOC1=CC=CNC1CO
InChIInChI=1S/C7H11NO2/c1-10-7-3-2-4-8-6(7)5-9/h2-4,6,8-9H,5H2,1H3
InChIKeyDHTIFOAAKNOZCL-UHFFFAOYSA-N
XLogP-0.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 86340216
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CID 86340221
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CID 129042381
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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1,2-dihydropyridin-2-yl)methanol?
The IUPAC name of (3-methoxy-1,2-dihydropyridin-2-yl)methanol (CID 173058034) is (3-methoxy-1,2-dihydropyridin-2-yl)methanol.
What is the SMILES notation for (3-methoxy-1,2-dihydropyridin-2-yl)methanol?
The canonical SMILES for (3-methoxy-1,2-dihydropyridin-2-yl)methanol is COC1=CC=CNC1CO.
What is the InChIKey of (3-methoxy-1,2-dihydropyridin-2-yl)methanol?
The InChIKey is DHTIFOAAKNOZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-10-7-3-2-4-8-6(7)5-9/h2-4,6,8-9H,5H2,1H3.
What are the key properties of (3-methoxy-1,2-dihydropyridin-2-yl)methanol?
(3-methoxy-1,2-dihydropyridin-2-yl)methanol has a molecular weight of 141.17 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1,2-dihydropyridin-2-yl)methanol is sourced from PubChem (CID 173058034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).