(4-ethynyl-3-pyridinyl)methanol

C8H7NO — CID 74892542

IUPAC(4-ethynyl-3-pyridinyl)methanol
SMILESC#Cc1ccncc1CO
InChIInChI=1S/C8H7NO/c1-2-7-3-4-9-5-8(7)6-10/h1,3-5,10H,6H2
InChIKeyKEQDRZQFCIIPAH-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.56
Rot. Bonds1

About (4-ethynyl-3-pyridinyl)methanol

(4-ethynyl-3-pyridinyl)methanol (PubChem CID 74892542) has the molecular formula C8H7NO and a molecular weight of 133.15 g/mol. Its IUPAC name is (4-ethynyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(4-ethynyl-3-pyridinyl)methanol
PubChem CID74892542
Molecular FormulaC8H7NO
Molecular Weight133.15 g/mol
Exact Mass133.05
IUPAC Name(4-ethynyl-3-pyridinyl)methanol
SMILESC#Cc1ccncc1CO
InChIInChI=1S/C8H7NO/c1-2-7-3-4-9-5-8(7)6-10/h1,3-5,10H,6H2
InChIKeyKEQDRZQFCIIPAH-UHFFFAOYSA-N
XLogP0.56
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (4-ethynyl-3-pyridinyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-3-pyridinyl)methanol;hydrochloride
CID 71669148
[4-(bromomethyl)-3-pyridinyl]methanol
CID 139484815
(4-iodo-3-pyridinyl)methanol
CID 119092620
1-(4-ethynyl-3-pyridinyl)ethanone
CID 74788219
2,6-naphthyridin-4-ylmethanol
CID 84651029
4-ethynyl-3-[2-[2-[2-(4-ethynyl-3-pyridinyl)ethynyl]phenyl]ethynyl]pyridine
CID 56958698
4-[3-(4-ethynyl-3-pyridinyl)propyl]morpholine
CID 142566582
3-(hydroxymethyl)pyridine-4-carboxylic acid
CID 12758257
[4-(methylamino)-3-pyridinyl]methanol
CID 105427975
ethane;(4-ethyl-3-pyridinyl)methanol;propane
CID 142370025
[3-[(3,5-dimethylphenyl)methyl]-4-pyridinyl]methanol
CID 54432913
[4-(4-aminophenyl)-3-pyridinyl]methanol
CID 162362514

Frequently Asked Questions

What is the IUPAC name of (4-ethynyl-3-pyridinyl)methanol?
The IUPAC name of (4-ethynyl-3-pyridinyl)methanol (CID 74892542) is (4-ethynyl-3-pyridinyl)methanol.
What is the SMILES notation for (4-ethynyl-3-pyridinyl)methanol?
The canonical SMILES for (4-ethynyl-3-pyridinyl)methanol is C#Cc1ccncc1CO.
What is the InChIKey of (4-ethynyl-3-pyridinyl)methanol?
The InChIKey is KEQDRZQFCIIPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO/c1-2-7-3-4-9-5-8(7)6-10/h1,3-5,10H,6H2.
What are the key properties of (4-ethynyl-3-pyridinyl)methanol?
(4-ethynyl-3-pyridinyl)methanol has a molecular weight of 133.15 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethynyl-3-pyridinyl)methanol is sourced from PubChem (CID 74892542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).