(5-ethyl-1,2-dihydropyridin-6-yl)methanol

C8H13NO — CID 126690667

IUPAC(5-ethyl-1,2-dihydropyridin-6-yl)methanol
SMILESCCC1=C(CO)NCC=C1
InChIInChI=1S/C8H13NO/c1-2-7-4-3-5-9-8(7)6-10/h3-4,9-10H,2,5-6H2,1H3
InChIKeyGFMHJNDOFVAKGT-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.80
Rot. Bonds2

About (5-ethyl-1,2-dihydropyridin-6-yl)methanol

(5-ethyl-1,2-dihydropyridin-6-yl)methanol (PubChem CID 126690667) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (5-ethyl-1,2-dihydropyridin-6-yl)methanol.

Molecular Properties

Compound Name(5-ethyl-1,2-dihydropyridin-6-yl)methanol
PubChem CID126690667
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(5-ethyl-1,2-dihydropyridin-6-yl)methanol
SMILESCCC1=C(CO)NCC=C1
InChIInChI=1S/C8H13NO/c1-2-7-4-3-5-9-8(7)6-10/h3-4,9-10H,2,5-6H2,1H3
InChIKeyGFMHJNDOFVAKGT-UHFFFAOYSA-N
XLogP0.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1,2-dihydropyridin-6-yl)methanol?
The IUPAC name of (5-ethyl-1,2-dihydropyridin-6-yl)methanol (CID 126690667) is (5-ethyl-1,2-dihydropyridin-6-yl)methanol.
What is the SMILES notation for (5-ethyl-1,2-dihydropyridin-6-yl)methanol?
The canonical SMILES for (5-ethyl-1,2-dihydropyridin-6-yl)methanol is CCC1=C(CO)NCC=C1.
What is the InChIKey of (5-ethyl-1,2-dihydropyridin-6-yl)methanol?
The InChIKey is GFMHJNDOFVAKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-7-4-3-5-9-8(7)6-10/h3-4,9-10H,2,5-6H2,1H3.
What are the key properties of (5-ethyl-1,2-dihydropyridin-6-yl)methanol?
(5-ethyl-1,2-dihydropyridin-6-yl)methanol has a molecular weight of 139.20 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1,2-dihydropyridin-6-yl)methanol is sourced from PubChem (CID 126690667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).