4-pyridin-3-ylbenzoic acid;hydrochloride

C12H10ClNO2 — CID 69483183

IUPAC4-pyridin-3-ylbenzoic acid;hydrochloride
SMILESCl.O=C(O)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C12H9NO2.ClH/c14-12(15)10-5-3-9(4-6-10)11-2-1-7-13-8-11;/h1-8H,(H,14,15);1H
InChIKeyBJTUFABCKIEIGB-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.87
Rot. Bonds2

About 4-pyridin-3-ylbenzoic acid;hydrochloride

4-pyridin-3-ylbenzoic acid;hydrochloride (PubChem CID 69483183) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 4-pyridin-3-ylbenzoic acid;hydrochloride.

Molecular Properties

Compound Name4-pyridin-3-ylbenzoic acid;hydrochloride
PubChem CID69483183
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name4-pyridin-3-ylbenzoic acid;hydrochloride
SMILESCl.O=C(O)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C12H9NO2.ClH/c14-12(15)10-5-3-9(4-6-10)11-2-1-7-13-8-11;/h1-8H,(H,14,15);1H
InChIKeyBJTUFABCKIEIGB-UHFFFAOYSA-N
XLogP2.87
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-pyridin-3-ylbenzoic acid
CID 2795575
3-oxo-3-(4-pyridin-3-ylphenyl)propanoic acid
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CID 146021058
3,4-dipyridin-3-ylbenzoic acid
CID 46316417
3-azulen-6-ylpyridine
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4-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)benzoic acid
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cyclopenta[c]azepine
CID 638010
CID 157283677
CID 157283677
nickel;pyridine-3-carboxylic acid
CID 174049937
N'-(4-bromobenzoyl)-4-pyridin-3-ylbenzohydrazide
CID 58858311
(Z)-3-amino-2-(4-pyridin-3-ylphenyl)prop-2-enamide
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potassium;hydride;4-phenylbenzoic acid
CID 173045180

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-ylbenzoic acid;hydrochloride?
The IUPAC name of 4-pyridin-3-ylbenzoic acid;hydrochloride (CID 69483183) is 4-pyridin-3-ylbenzoic acid;hydrochloride.
What is the SMILES notation for 4-pyridin-3-ylbenzoic acid;hydrochloride?
The canonical SMILES for 4-pyridin-3-ylbenzoic acid;hydrochloride is Cl.O=C(O)c1ccc(-c2cccnc2)cc1.
What is the InChIKey of 4-pyridin-3-ylbenzoic acid;hydrochloride?
The InChIKey is BJTUFABCKIEIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2.ClH/c14-12(15)10-5-3-9(4-6-10)11-2-1-7-13-8-11;/h1-8H,(H,14,15);1H.
What are the key properties of 4-pyridin-3-ylbenzoic acid;hydrochloride?
4-pyridin-3-ylbenzoic acid;hydrochloride has a molecular weight of 235.67 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-ylbenzoic acid;hydrochloride is sourced from PubChem (CID 69483183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).