(2-methyl-1,2-dihydropyridin-5-yl)methanol

C7H11NO — CID 143687161

IUPAC(2-methyl-1,2-dihydropyridin-5-yl)methanol
SMILESCC1C=CC(CO)=CN1
InChIInChI=1S/C7H11NO/c1-6-2-3-7(5-9)4-8-6/h2-4,6,8-9H,5H2,1H3
InChIKeyXBULIYMMRQEZJR-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.41
Rot. Bonds1

About (2-methyl-1,2-dihydropyridin-5-yl)methanol

(2-methyl-1,2-dihydropyridin-5-yl)methanol (PubChem CID 143687161) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (2-methyl-1,2-dihydropyridin-5-yl)methanol.

Molecular Properties

Compound Name(2-methyl-1,2-dihydropyridin-5-yl)methanol
PubChem CID143687161
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(2-methyl-1,2-dihydropyridin-5-yl)methanol
SMILESCC1C=CC(CO)=CN1
InChIInChI=1S/C7H11NO/c1-6-2-3-7(5-9)4-8-6/h2-4,6,8-9H,5H2,1H3
InChIKeyXBULIYMMRQEZJR-UHFFFAOYSA-N
XLogP0.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(2-methoxy-1,2-dihydropyridin-4-yl)methanol
CID 164602647
2,5-diethyl-1,2-dihydropyridine
CID 167080953
6-hydroxy-3-(hydroxymethyl)cyclohexa-2,4-diene-1-carboxylic acid
CID 89318782
(4-propan-2-ylcyclohexa-1,5-dien-1-yl)methanol
CID 519721
[4-(hydroxymethyl)cyclohepta-2,4,6-trien-1-yl]methanol
CID 144663501
4-bromo-5-methyl-2-(2-methyl-1,2-dihydropyridin-5-yl)-1,3-thiazole
CID 144790061
[(3S)-3,4-dichloro-3-iodocyclohexa-1,5-dien-1-yl]methanol
CID 173484706
2-hydroxy-1,2-dihydropyridine-5-carboxylic acid
CID 74892803
tert-butyl N-[(2-methoxy-1,2-dihydropyridin-5-yl)methyl]carbamate
CID 143898441
4-(azetidin-1-ylmethyl)-2-methyl-1,2-dihydropyridine
CID 175887581
(2R)-2-methyl-1,2-dihydropyridine
CID 154539310
2-methyl-4-oxo-2,3-dihydro-1H-pyrimidine-5-carboxylic acid
CID 58230450

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,2-dihydropyridin-5-yl)methanol?
The IUPAC name of (2-methyl-1,2-dihydropyridin-5-yl)methanol (CID 143687161) is (2-methyl-1,2-dihydropyridin-5-yl)methanol.
What is the SMILES notation for (2-methyl-1,2-dihydropyridin-5-yl)methanol?
The canonical SMILES for (2-methyl-1,2-dihydropyridin-5-yl)methanol is CC1C=CC(CO)=CN1.
What is the InChIKey of (2-methyl-1,2-dihydropyridin-5-yl)methanol?
The InChIKey is XBULIYMMRQEZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6-2-3-7(5-9)4-8-6/h2-4,6,8-9H,5H2,1H3.
What are the key properties of (2-methyl-1,2-dihydropyridin-5-yl)methanol?
(2-methyl-1,2-dihydropyridin-5-yl)methanol has a molecular weight of 125.17 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,2-dihydropyridin-5-yl)methanol is sourced from PubChem (CID 143687161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).