2-(4-pyridin-4-yloxyphenyl)acetic acid;hydrochloride

C13H12ClNO3 — CID 71756945

IUPAC2-(4-pyridin-4-yloxyphenyl)acetic acid;hydrochloride
SMILESCl.O=C(O)Cc1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C13H11NO3.ClH/c15-13(16)9-10-1-3-11(4-2-10)17-12-5-7-14-8-6-12;/h1-8H,9H2,(H,15,16);1H
InChIKeyOPIFPCFJPHGGBZ-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.92
Rot. Bonds4

About 2-(4-pyridin-4-yloxyphenyl)acetic acid;hydrochloride

2-(4-pyridin-4-yloxyphenyl)acetic acid;hydrochloride (PubChem CID 71756945) has the molecular formula C13H12ClNO3 and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-(4-pyridin-4-yloxyphenyl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(4-pyridin-4-yloxyphenyl)acetic acid;hydrochloride
PubChem CID71756945
Molecular FormulaC13H12ClNO3
Molecular Weight265.70 g/mol
Exact Mass265.05
IUPAC Name2-(4-pyridin-4-yloxyphenyl)acetic acid;hydrochloride
SMILESCl.O=C(O)Cc1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C13H11NO3.ClH/c15-13(16)9-10-1-3-11(4-2-10)17-12-5-7-14-8-6-12;/h1-8H,9H2,(H,15,16);1H
InChIKeyOPIFPCFJPHGGBZ-UHFFFAOYSA-N
XLogP2.92
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-pyridin-4-yloxyphenyl)acetic acid
CID 61395502
2-[4-(carboxymethyl)phenyl]acetic acid;4-pyridin-4-ylpyridine
CID 139087682
2-(4-hydroperoxyphenyl)acetic acid
CID 151534269
2-[4-(4-methylsulfanylphenoxy)phenyl]acetic acid
CID 70507795
2-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]acetic acid
CID 61395505
2-[4-[(pyridin-4-ylmethylamino)methyl]phenyl]acetic acid
CID 103236241
2-[4-[(3-nitro-4-pyridinyl)oxy]phenyl]acetic acid
CID 61395522
2-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]acetic acid
CID 61395400
2-[4-[4-(diaminomethylideneamino)phenoxy]phenyl]acetic acid
CID 125329148
4-ethyl-N-[2-(4-pyridin-4-yloxyphenyl)acetyl]benzamide
CID 68539937
2-[4-(trideuteriomethoxy)phenyl]acetic acid
CID 177182175
2-[4-[(2-methyl-3-pyridinyl)oxy]phenyl]acetic acid
CID 71246278

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-4-yloxyphenyl)acetic acid;hydrochloride?
The IUPAC name of 2-(4-pyridin-4-yloxyphenyl)acetic acid;hydrochloride (CID 71756945) is 2-(4-pyridin-4-yloxyphenyl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(4-pyridin-4-yloxyphenyl)acetic acid;hydrochloride?
The canonical SMILES for 2-(4-pyridin-4-yloxyphenyl)acetic acid;hydrochloride is Cl.O=C(O)Cc1ccc(Oc2ccncc2)cc1.
What is the InChIKey of 2-(4-pyridin-4-yloxyphenyl)acetic acid;hydrochloride?
The InChIKey is OPIFPCFJPHGGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3.ClH/c15-13(16)9-10-1-3-11(4-2-10)17-12-5-7-14-8-6-12;/h1-8H,9H2,(H,15,16);1H.
What are the key properties of 2-(4-pyridin-4-yloxyphenyl)acetic acid;hydrochloride?
2-(4-pyridin-4-yloxyphenyl)acetic acid;hydrochloride has a molecular weight of 265.70 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-4-yloxyphenyl)acetic acid;hydrochloride is sourced from PubChem (CID 71756945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).