3-chloro-4-pyridin-4-yloxybenzoic acid;hydrochloride

C12H9Cl2NO3 — CID 54593353

IUPAC3-chloro-4-pyridin-4-yloxybenzoic acid;hydrochloride
SMILESCl.O=C(O)c1ccc(Oc2ccncc2)c(Cl)c1
InChIInChI=1S/C12H8ClNO3.ClH/c13-10-7-8(12(15)16)1-2-11(10)17-9-3-5-14-6-4-9;/h1-7H,(H,15,16);1H
InChIKeyGQLLOXBJXDLKRB-UHFFFAOYSA-N
MW286.11 g/mol
LogP3.65
Rot. Bonds3

About 3-chloro-4-pyridin-4-yloxybenzoic acid;hydrochloride

3-chloro-4-pyridin-4-yloxybenzoic acid;hydrochloride (PubChem CID 54593353) has the molecular formula C12H9Cl2NO3 and a molecular weight of 286.11 g/mol. Its IUPAC name is 3-chloro-4-pyridin-4-yloxybenzoic acid;hydrochloride.

Molecular Properties

Compound Name3-chloro-4-pyridin-4-yloxybenzoic acid;hydrochloride
PubChem CID54593353
Molecular FormulaC12H9Cl2NO3
Molecular Weight286.11 g/mol
Exact Mass285.00
IUPAC Name3-chloro-4-pyridin-4-yloxybenzoic acid;hydrochloride
SMILESCl.O=C(O)c1ccc(Oc2ccncc2)c(Cl)c1
InChIInChI=1S/C12H8ClNO3.ClH/c13-10-7-8(12(15)16)1-2-11(10)17-9-3-5-14-6-4-9;/h1-7H,(H,15,16);1H
InChIKeyGQLLOXBJXDLKRB-UHFFFAOYSA-N
XLogP3.65
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.11
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminopiperidin-1-yl)-(3-chloro-4-pyridin-4-yloxyphenyl)methanone;dihydrochloride
CID 119374896
4-[(3-bromo-4-pyridinyl)oxy]-3-chlorobenzoic acid
CID 104779128
1-(3-chloro-4-pyridin-4-yloxybenzoyl)pyrrolidine-2-carboxylic acid
CID 126769558
(3-chloro-4-pyridin-4-yloxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 111332849
4-(4-bromo-3,5-dimethylphenoxy)-3-chlorobenzoic acid
CID 107724901
3-chloro-4-pyridin-2-yloxybenzoic acid
CID 59625693
4-[(3-bromo-2-pyridinyl)oxy]-3-chlorobenzoic acid
CID 61396283
3-chloro-4-[(3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 62733254
3-chloro-4-quinolin-7-yloxybenzoic acid
CID 107314076
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-pyridin-4-yloxybenzamide;dihydrochloride
CID 119574119
1-(3-chloro-4-pyridin-3-yloxyphenyl)ethanone
CID 55130531
3-chloro-4-(2,5-dichlorophenoxy)benzoic acid
CID 63513310

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-pyridin-4-yloxybenzoic acid;hydrochloride?
The IUPAC name of 3-chloro-4-pyridin-4-yloxybenzoic acid;hydrochloride (CID 54593353) is 3-chloro-4-pyridin-4-yloxybenzoic acid;hydrochloride.
What is the SMILES notation for 3-chloro-4-pyridin-4-yloxybenzoic acid;hydrochloride?
The canonical SMILES for 3-chloro-4-pyridin-4-yloxybenzoic acid;hydrochloride is Cl.O=C(O)c1ccc(Oc2ccncc2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-pyridin-4-yloxybenzoic acid;hydrochloride?
The InChIKey is GQLLOXBJXDLKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO3.ClH/c13-10-7-8(12(15)16)1-2-11(10)17-9-3-5-14-6-4-9;/h1-7H,(H,15,16);1H.
What are the key properties of 3-chloro-4-pyridin-4-yloxybenzoic acid;hydrochloride?
3-chloro-4-pyridin-4-yloxybenzoic acid;hydrochloride has a molecular weight of 286.11 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-pyridin-4-yloxybenzoic acid;hydrochloride is sourced from PubChem (CID 54593353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).