1-(3-chloro-2-pyridinyl)-2-pyridin-3-ylethanol

C12H11ClN2O — CID 103443598

IUPAC1-(3-chloro-2-pyridinyl)-2-pyridin-3-ylethanol
SMILESOC(Cc1cccnc1)c1ncccc1Cl
InChIInChI=1S/C12H11ClN2O/c13-10-4-2-6-15-12(10)11(16)7-9-3-1-5-14-8-9/h1-6,8,11,16H,7H2
InChIKeyYHSMNUVDUDVITJ-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.41
Rot. Bonds3

About 1-(3-chloro-2-pyridinyl)-2-pyridin-3-ylethanol

1-(3-chloro-2-pyridinyl)-2-pyridin-3-ylethanol (PubChem CID 103443598) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-2-pyridin-3-ylethanol.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-2-pyridin-3-ylethanol
PubChem CID103443598
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name1-(3-chloro-2-pyridinyl)-2-pyridin-3-ylethanol
SMILESOC(Cc1cccnc1)c1ncccc1Cl
InChIInChI=1S/C12H11ClN2O/c13-10-4-2-6-15-12(10)11(16)7-9-3-1-5-14-8-9/h1-6,8,11,16H,7H2
InChIKeyYHSMNUVDUDVITJ-UHFFFAOYSA-N
XLogP2.41
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanol
CID 103443569
2-(4-chloro-3-fluorophenyl)-1-(3-chloro-2-pyridinyl)ethanol
CID 107884392
2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanol
CID 103443505
1-(3,5-dichlorophenyl)-2-pyridin-3-ylethanol
CID 113446836
1-(5-chloro-1,3-thiazol-2-yl)-2-pyridin-3-ylethanol
CID 107124874
1-(3,5-dibromo-2-pyridinyl)-2-pyridin-3-ylethanol
CID 104735851
1-(4-phenylphenyl)-2-pyridin-3-ylethanol
CID 65455131
1-(3-chloro-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 103443585
1-(2,3-dichlorophenyl)-3-pyridin-3-ylpropan-2-amine
CID 107308540
1-(6-methyl-3-pyridinyl)-2-pyridin-3-ylethanol
CID 63155414
1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol
CID 104735785
1-amino-3-pyridin-3-ylpropan-2-ol
CID 56924494

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-2-pyridin-3-ylethanol?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-2-pyridin-3-ylethanol (CID 103443598) is 1-(3-chloro-2-pyridinyl)-2-pyridin-3-ylethanol.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-2-pyridin-3-ylethanol?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-2-pyridin-3-ylethanol is OC(Cc1cccnc1)c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-2-pyridin-3-ylethanol?
The InChIKey is YHSMNUVDUDVITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-10-4-2-6-15-12(10)11(16)7-9-3-1-5-14-8-9/h1-6,8,11,16H,7H2.
What are the key properties of 1-(3-chloro-2-pyridinyl)-2-pyridin-3-ylethanol?
1-(3-chloro-2-pyridinyl)-2-pyridin-3-ylethanol has a molecular weight of 234.69 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-2-pyridin-3-ylethanol is sourced from PubChem (CID 103443598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).