2-(3-chloro-4-pyridinyl)phenol;ethane

C13H14ClNO — CID 144591018

IUPAC2-(3-chloro-4-pyridinyl)phenol;ethane
SMILESCC.Oc1ccccc1-c1ccncc1Cl
InChIInChI=1S/C11H8ClNO.C2H6/c12-10-7-13-6-5-8(10)9-3-1-2-4-11(9)14;1-2/h1-7,14H;1-2H3
InChIKeyKUHHWJHQAJETKL-UHFFFAOYSA-N
MW235.71 g/mol
LogP4.13
Rot. Bonds1

About 2-(3-chloro-4-pyridinyl)phenol;ethane

2-(3-chloro-4-pyridinyl)phenol;ethane (PubChem CID 144591018) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)phenol;ethane.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)phenol;ethane
PubChem CID144591018
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name2-(3-chloro-4-pyridinyl)phenol;ethane
SMILESCC.Oc1ccccc1-c1ccncc1Cl
InChIInChI=1S/C11H8ClNO.C2H6/c12-10-7-13-6-5-8(10)9-3-1-2-4-11(9)14;1-2/h1-7,14H;1-2H3
InChIKeyKUHHWJHQAJETKL-UHFFFAOYSA-N
XLogP4.13
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-(2-methoxyphenyl)pyridine
CID 134375392
5-(3-chloro-4-pyridinyl)-2-methylquinolin-3-ol
CID 166359968
2-(3-pentyl-4-pyridinyl)phenol
CID 135745178
2-[[2-(3-chloro-4-pyridinyl)phenyl]methyl]butanoic acid
CID 167743966
2-(3-isocyanato-4-pyridinyl)phenol
CID 136982176
2-(2-amino-5-chloro-4-pyridinyl)phenol
CID 139543768
1-[4-(2-chlorophenyl)-3-pyridinyl]-N-methylmethanamine
CID 115824634
4-(2-chlorophenyl)-N-cyclopropylpyridin-3-amine
CID 70663285
3-(2-chlorophenyl)pyridine-4-carboxylic acid
CID 53222992
2-(5-chloro-1-methylpyrazol-4-yl)phenol
CID 84676420
4-(3-chloro-4-pyridinyl)-9H-pyrido[2,3-b]indole
CID 118934591
N-[4-(2-chlorophenyl)-3-pyridinyl]-N,2,2-trimethylpropanamide
CID 20691980

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)phenol;ethane?
The IUPAC name of 2-(3-chloro-4-pyridinyl)phenol;ethane (CID 144591018) is 2-(3-chloro-4-pyridinyl)phenol;ethane.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)phenol;ethane?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)phenol;ethane is CC.Oc1ccccc1-c1ccncc1Cl.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)phenol;ethane?
The InChIKey is KUHHWJHQAJETKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO.C2H6/c12-10-7-13-6-5-8(10)9-3-1-2-4-11(9)14;1-2/h1-7,14H;1-2H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)phenol;ethane?
2-(3-chloro-4-pyridinyl)phenol;ethane has a molecular weight of 235.71 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)phenol;ethane is sourced from PubChem (CID 144591018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).