(5-chloro-3-pyridinyl) 4-pyridin-3-ylbenzoate

C17H11ClN2O2 — CID 177378862

IUPAC(5-chloro-3-pyridinyl) 4-pyridin-3-ylbenzoate
SMILESO=C(Oc1cncc(Cl)c1)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C17H11ClN2O2/c18-15-8-16(11-20-10-15)22-17(21)13-5-3-12(4-6-13)14-2-1-7-19-9-14/h1-11H
InChIKeyZYYDDFYJLRUJMT-UHFFFAOYSA-N
MW310.74 g/mol
LogP4.02
Rot. Bonds3

About (5-chloro-3-pyridinyl) 4-pyridin-3-ylbenzoate

(5-chloro-3-pyridinyl) 4-pyridin-3-ylbenzoate (PubChem CID 177378862) has the molecular formula C17H11ClN2O2 and a molecular weight of 310.74 g/mol. Its IUPAC name is (5-chloro-3-pyridinyl) 4-pyridin-3-ylbenzoate.

Molecular Properties

Compound Name(5-chloro-3-pyridinyl) 4-pyridin-3-ylbenzoate
PubChem CID177378862
Molecular FormulaC17H11ClN2O2
Molecular Weight310.74 g/mol
Exact Mass310.05
IUPAC Name(5-chloro-3-pyridinyl) 4-pyridin-3-ylbenzoate
SMILESO=C(Oc1cncc(Cl)c1)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C17H11ClN2O2/c18-15-8-16(11-20-10-15)22-17(21)13-5-3-12(4-6-13)14-2-1-7-19-9-14/h1-11H
InChIKeyZYYDDFYJLRUJMT-UHFFFAOYSA-N
XLogP4.02
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tripyridin-3-yl benzene-1,3,5-tricarboxylate
CID 102031459
(5-bromo-3-pyridinyl) 4-chlorobenzoate
CID 177378888
(5-chloro-3-pyridinyl) 3-methyl-4-propan-2-ylbenzoate
CID 145367175
4-pyridin-3-ylbenzoic acid;hydrochloride
CID 69483183
3-azulen-6-ylpyridine
CID 86232079
N-hydroxy-5-(4-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 89034600
[4-[(2S)-2-[(4-tert-butylbenzoyl)amino]-3-oxobutyl]phenyl] 4-pyridin-3-ylbenzoate
CID 58546053
1-(5-pyridin-3-yl-3-pyridinyl)ethanone
CID 20802831
3-(6-chloronaphthalen-2-yl)pyridine
CID 173397093
3-oxo-3-(4-pyridin-3-ylphenyl)propanoic acid
CID 170887253
N-(2-chloro-3-pyridinyl)-4-pyridin-3-ylbenzamide
CID 59673856
[3-(pyridine-4-carbonyloxy)phenyl] pyridine-4-carboxylate
CID 4582342

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-pyridinyl) 4-pyridin-3-ylbenzoate?
The IUPAC name of (5-chloro-3-pyridinyl) 4-pyridin-3-ylbenzoate (CID 177378862) is (5-chloro-3-pyridinyl) 4-pyridin-3-ylbenzoate.
What is the SMILES notation for (5-chloro-3-pyridinyl) 4-pyridin-3-ylbenzoate?
The canonical SMILES for (5-chloro-3-pyridinyl) 4-pyridin-3-ylbenzoate is O=C(Oc1cncc(Cl)c1)c1ccc(-c2cccnc2)cc1.
What is the InChIKey of (5-chloro-3-pyridinyl) 4-pyridin-3-ylbenzoate?
The InChIKey is ZYYDDFYJLRUJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O2/c18-15-8-16(11-20-10-15)22-17(21)13-5-3-12(4-6-13)14-2-1-7-19-9-14/h1-11H.
What are the key properties of (5-chloro-3-pyridinyl) 4-pyridin-3-ylbenzoate?
(5-chloro-3-pyridinyl) 4-pyridin-3-ylbenzoate has a molecular weight of 310.74 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-pyridinyl) 4-pyridin-3-ylbenzoate is sourced from PubChem (CID 177378862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).