1-(3-chloro-4-pyridinyl)-3-(oxolan-3-yl)propan-2-ol

C12H16ClNO2 — CID 103986580

IUPAC1-(3-chloro-4-pyridinyl)-3-(oxolan-3-yl)propan-2-ol
SMILESOC(Cc1ccncc1Cl)CC1CCOC1
InChIInChI=1S/C12H16ClNO2/c13-12-7-14-3-1-10(12)6-11(15)5-9-2-4-16-8-9/h1,3,7,9,11,15H,2,4-6,8H2
InChIKeyMFQQQFFKSJRICF-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.07
Rot. Bonds4

About 1-(3-chloro-4-pyridinyl)-3-(oxolan-3-yl)propan-2-ol

1-(3-chloro-4-pyridinyl)-3-(oxolan-3-yl)propan-2-ol (PubChem CID 103986580) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-3-(oxolan-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-3-(oxolan-3-yl)propan-2-ol
PubChem CID103986580
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name1-(3-chloro-4-pyridinyl)-3-(oxolan-3-yl)propan-2-ol
SMILESOC(Cc1ccncc1Cl)CC1CCOC1
InChIInChI=1S/C12H16ClNO2/c13-12-7-14-3-1-10(12)6-11(15)5-9-2-4-16-8-9/h1,3,7,9,11,15H,2,4-6,8H2
InChIKeyMFQQQFFKSJRICF-UHFFFAOYSA-N
XLogP2.07
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-4-pyridinyl)-3-(oxolan-3-yl)propan-2-ol 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

1-(4-amino-3-pyridinyl)-3-(oxolan-3-yl)propan-2-ol
CID 103986436
1-(oxolan-3-yl)-3-pyridin-3-ylpropan-2-ol
CID 104736202
1-(4-ethylphenyl)-3-(oxolan-3-yl)propan-2-ol
CID 103986414
1-(3-chloro-4-pyridinyl)-4-(dimethylamino)butan-2-ol
CID 115345875
1-(7-bicyclo[4.1.0]heptanyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655798
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655734
1-(oxolan-3-yl)-3-quinolin-2-ylpropan-2-ol
CID 103986478
3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
CID 66482961
3-chloro-N-[2-[(3R)-oxolan-3-yl]ethyl]pyridine-4-carboxamide
CID 124679731
1-(3-chloro-4-pyridinyl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine
CID 103546851
1-(2-bromo-5-methoxyphenyl)-3-(oxolan-3-yl)propan-2-ol
CID 103986427
1-(3-chloro-4-pyridinyl)-4-ethylsulfanylbutan-2-ol
CID 116504536

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-3-(oxolan-3-yl)propan-2-ol?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-3-(oxolan-3-yl)propan-2-ol (CID 103986580) is 1-(3-chloro-4-pyridinyl)-3-(oxolan-3-yl)propan-2-ol.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-3-(oxolan-3-yl)propan-2-ol?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-3-(oxolan-3-yl)propan-2-ol is OC(Cc1ccncc1Cl)CC1CCOC1.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-3-(oxolan-3-yl)propan-2-ol?
The InChIKey is MFQQQFFKSJRICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c13-12-7-14-3-1-10(12)6-11(15)5-9-2-4-16-8-9/h1,3,7,9,11,15H,2,4-6,8H2.
What are the key properties of 1-(3-chloro-4-pyridinyl)-3-(oxolan-3-yl)propan-2-ol?
1-(3-chloro-4-pyridinyl)-3-(oxolan-3-yl)propan-2-ol has a molecular weight of 241.72 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-3-(oxolan-3-yl)propan-2-ol is sourced from PubChem (CID 103986580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).