1,2-dihydropyridin-5-ylmethanol

C6H9NO — CID 19045944

IUPAC1,2-dihydropyridin-5-ylmethanol
SMILESOCC1=CNCC=C1
InChIInChI=1S/C6H9NO/c8-5-6-2-1-3-7-4-6/h1-2,4,7-8H,3,5H2
InChIKeyBZRIMEBPKDIERI-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.02
Rot. Bonds1

About 1,2-dihydropyridin-5-ylmethanol

1,2-dihydropyridin-5-ylmethanol (PubChem CID 19045944) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 1,2-dihydropyridin-5-ylmethanol.

Molecular Properties

Compound Name1,2-dihydropyridin-5-ylmethanol
PubChem CID19045944
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name1,2-dihydropyridin-5-ylmethanol
SMILESOCC1=CNCC=C1
InChIInChI=1S/C6H9NO/c8-5-6-2-1-3-7-4-6/h1-2,4,7-8H,3,5H2
InChIKeyBZRIMEBPKDIERI-UHFFFAOYSA-N
XLogP0.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyridin-5-ylmethanol?
The IUPAC name of 1,2-dihydropyridin-5-ylmethanol (CID 19045944) is 1,2-dihydropyridin-5-ylmethanol.
What is the SMILES notation for 1,2-dihydropyridin-5-ylmethanol?
The canonical SMILES for 1,2-dihydropyridin-5-ylmethanol is OCC1=CNCC=C1.
What is the InChIKey of 1,2-dihydropyridin-5-ylmethanol?
The InChIKey is BZRIMEBPKDIERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c8-5-6-2-1-3-7-4-6/h1-2,4,7-8H,3,5H2.
What are the key properties of 1,2-dihydropyridin-5-ylmethanol?
1,2-dihydropyridin-5-ylmethanol has a molecular weight of 111.14 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyridin-5-ylmethanol is sourced from PubChem (CID 19045944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).