(2-pyridin-2-ylphenyl) 3-chlorobenzoate

C18H12ClNO2 — CID 135067623

IUPAC(2-pyridin-2-ylphenyl) 3-chlorobenzoate
SMILESO=C(Oc1ccccc1-c1ccccn1)c1cccc(Cl)c1
InChIInChI=1S/C18H12ClNO2/c19-14-7-5-6-13(12-14)18(21)22-17-10-2-1-8-15(17)16-9-3-4-11-20-16/h1-12H
InChIKeyINPLMUVDBHBMQZ-UHFFFAOYSA-N
MW309.75 g/mol
LogP4.62
Rot. Bonds3

About (2-pyridin-2-ylphenyl) 3-chlorobenzoate

(2-pyridin-2-ylphenyl) 3-chlorobenzoate (PubChem CID 135067623) has the molecular formula C18H12ClNO2 and a molecular weight of 309.75 g/mol. Its IUPAC name is (2-pyridin-2-ylphenyl) 3-chlorobenzoate.

Molecular Properties

Compound Name(2-pyridin-2-ylphenyl) 3-chlorobenzoate
PubChem CID135067623
Molecular FormulaC18H12ClNO2
Molecular Weight309.75 g/mol
Exact Mass309.06
IUPAC Name(2-pyridin-2-ylphenyl) 3-chlorobenzoate
SMILESO=C(Oc1ccccc1-c1ccccn1)c1cccc(Cl)c1
InChIInChI=1S/C18H12ClNO2/c19-14-7-5-6-13(12-14)18(21)22-17-10-2-1-8-15(17)16-9-3-4-11-20-16/h1-12H
InChIKeyINPLMUVDBHBMQZ-UHFFFAOYSA-N
XLogP4.62
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Pyridin-3-yl 3-chlorobenzoate
CID 943638
2-{3,5-Dichloro-4-[4-hydroxy-3-(pyridin-2-yl)phenoxy]phenyl}acetic acid
CID 135559141
3-(2-(2-(benzyloxy)-5-chlorophenyl)-1H-pyrrol-1-yl)benzoic acid
CID 11211840
4-(4'-Chlorobenzyloxy)benzyl nicotinate
CID 124998
5-Chloropyridin-3-yl 1-naphthoate
CID 16203908
2-(benzyloxy)-5-chloro-N-pyridin-3-ylbenzamide
CID 6463365
3-(3-(2-(Benzyloxy)-5-chlorophenyl)pyridin-2-yl)benzoic acid
CID 11235389
3-(4-((R)-3-(4-chloro-2-(pyridin-2-yl)phenoxy)butoxy)-2-methylphenyl)propanoic acid
CID 11247654
(2-Chlorophenyl) 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate
CID 11292294
3-[4-(5-Chloro-2-phenylmethoxyphenyl)-3-pyridinyl]benzoic acid
CID 11350546
3-{3-[2-(Benzyloxy)-5-chloro-phenyl]-pyrazin-2-yl}-benzoic Acid
CID 11429983
3-(3-(2-(Benzyloxy)-5-chlorophenyl)pyridin-4-yl)benzoic acid
CID 11464169

Frequently Asked Questions

What is the IUPAC name of (2-pyridin-2-ylphenyl) 3-chlorobenzoate?
The IUPAC name of (2-pyridin-2-ylphenyl) 3-chlorobenzoate (CID 135067623) is (2-pyridin-2-ylphenyl) 3-chlorobenzoate.
What is the SMILES notation for (2-pyridin-2-ylphenyl) 3-chlorobenzoate?
The canonical SMILES for (2-pyridin-2-ylphenyl) 3-chlorobenzoate is O=C(Oc1ccccc1-c1ccccn1)c1cccc(Cl)c1.
What is the InChIKey of (2-pyridin-2-ylphenyl) 3-chlorobenzoate?
The InChIKey is INPLMUVDBHBMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClNO2/c19-14-7-5-6-13(12-14)18(21)22-17-10-2-1-8-15(17)16-9-3-4-11-20-16/h1-12H.
What are the key properties of (2-pyridin-2-ylphenyl) 3-chlorobenzoate?
(2-pyridin-2-ylphenyl) 3-chlorobenzoate has a molecular weight of 309.75 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyridin-2-ylphenyl) 3-chlorobenzoate is sourced from PubChem (CID 135067623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).