(2-ethynyl-3-propan-2-yl-4-pyridinyl)methanol

C11H13NO — CID 167580551

IUPAC(2-ethynyl-3-propan-2-yl-4-pyridinyl)methanol
SMILESC#Cc1nccc(CO)c1C(C)C
InChIInChI=1S/C11H13NO/c1-4-10-11(8(2)3)9(7-13)5-6-12-10/h1,5-6,8,13H,7H2,2-3H3
InChIKeyOLDIAMICPKVZJL-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.68
Rot. Bonds2

About (2-ethynyl-3-propan-2-yl-4-pyridinyl)methanol

(2-ethynyl-3-propan-2-yl-4-pyridinyl)methanol (PubChem CID 167580551) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (2-ethynyl-3-propan-2-yl-4-pyridinyl)methanol.

Molecular Properties

Compound Name(2-ethynyl-3-propan-2-yl-4-pyridinyl)methanol
PubChem CID167580551
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(2-ethynyl-3-propan-2-yl-4-pyridinyl)methanol
SMILESC#Cc1nccc(CO)c1C(C)C
InChIInChI=1S/C11H13NO/c1-4-10-11(8(2)3)9(7-13)5-6-12-10/h1,5-6,8,13H,7H2,2-3H3
InChIKeyOLDIAMICPKVZJL-UHFFFAOYSA-N
XLogP1.68
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Pyridinemethanol
CID 7510
4-Hydroxymethylpyridine
CID 11472
5-Ethyl-2-pyridineethanol
CID 78894
3-Pyridineethanol
CID 80515
alpha-Methyl-3-pyridinemethanol
CID 101192
2-(2-Methylpyridin-3-yl)ethan-1-ol
CID 268518
(4-Methylpyridin-3-yl)methanol
CID 232487
alpha-Phenyl-4-pyridinemethanol
CID 98305
(2-Methylpyridin-3-yl)methanol
CID 302564
2-(3-Methylpyridin-2-yl)ethan-1-ol
CID 14546493
Nicotinyl alcohol hydrofluoride
CID 20333624
(2-Methylphenyl)(2-pyridinyl)methanol
CID 5143164

Frequently Asked Questions

What is the IUPAC name of (2-ethynyl-3-propan-2-yl-4-pyridinyl)methanol?
The IUPAC name of (2-ethynyl-3-propan-2-yl-4-pyridinyl)methanol (CID 167580551) is (2-ethynyl-3-propan-2-yl-4-pyridinyl)methanol.
What is the SMILES notation for (2-ethynyl-3-propan-2-yl-4-pyridinyl)methanol?
The canonical SMILES for (2-ethynyl-3-propan-2-yl-4-pyridinyl)methanol is C#Cc1nccc(CO)c1C(C)C.
What is the InChIKey of (2-ethynyl-3-propan-2-yl-4-pyridinyl)methanol?
The InChIKey is OLDIAMICPKVZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-4-10-11(8(2)3)9(7-13)5-6-12-10/h1,5-6,8,13H,7H2,2-3H3.
What are the key properties of (2-ethynyl-3-propan-2-yl-4-pyridinyl)methanol?
(2-ethynyl-3-propan-2-yl-4-pyridinyl)methanol has a molecular weight of 175.23 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethynyl-3-propan-2-yl-4-pyridinyl)methanol is sourced from PubChem (CID 167580551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).