3-pyridin-4-yloxybenzoic acid;hydrochloride

C12H10ClNO3 — CID 18548698

IUPAC3-pyridin-4-yloxybenzoic acid;hydrochloride
SMILESCl.O=C(O)c1cccc(Oc2ccncc2)c1
InChIInChI=1S/C12H9NO3.ClH/c14-12(15)9-2-1-3-11(8-9)16-10-4-6-13-7-5-10;/h1-8H,(H,14,15);1H
InChIKeyHTNHUWABAPYTCM-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.99
Rot. Bonds3

About 3-pyridin-4-yloxybenzoic acid;hydrochloride

3-pyridin-4-yloxybenzoic acid;hydrochloride (PubChem CID 18548698) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is 3-pyridin-4-yloxybenzoic acid;hydrochloride.

Molecular Properties

Compound Name3-pyridin-4-yloxybenzoic acid;hydrochloride
PubChem CID18548698
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Name3-pyridin-4-yloxybenzoic acid;hydrochloride
SMILESCl.O=C(O)c1cccc(Oc2ccncc2)c1
InChIInChI=1S/C12H9NO3.ClH/c14-12(15)9-2-1-3-11(8-9)16-10-4-6-13-7-5-10;/h1-8H,(H,14,15);1H
InChIKeyHTNHUWABAPYTCM-UHFFFAOYSA-N
XLogP2.99
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yloxybenzoic acid;hydrochloride?
The IUPAC name of 3-pyridin-4-yloxybenzoic acid;hydrochloride (CID 18548698) is 3-pyridin-4-yloxybenzoic acid;hydrochloride.
What is the SMILES notation for 3-pyridin-4-yloxybenzoic acid;hydrochloride?
The canonical SMILES for 3-pyridin-4-yloxybenzoic acid;hydrochloride is Cl.O=C(O)c1cccc(Oc2ccncc2)c1.
What is the InChIKey of 3-pyridin-4-yloxybenzoic acid;hydrochloride?
The InChIKey is HTNHUWABAPYTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3.ClH/c14-12(15)9-2-1-3-11(8-9)16-10-4-6-13-7-5-10;/h1-8H,(H,14,15);1H.
What are the key properties of 3-pyridin-4-yloxybenzoic acid;hydrochloride?
3-pyridin-4-yloxybenzoic acid;hydrochloride has a molecular weight of 251.67 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yloxybenzoic acid;hydrochloride is sourced from PubChem (CID 18548698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).