2-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]acetic acid

C13H10ClNO3 — CID 21078394

IUPAC2-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1Oc1cncc(Cl)c1
InChIInChI=1S/C13H10ClNO3/c14-10-6-11(8-15-7-10)18-12-4-2-1-3-9(12)5-13(16)17/h1-4,6-8H,5H2,(H,16,17)
InChIKeySXKDJLLUWOAEOV-UHFFFAOYSA-N
MW263.68 g/mol
LogP3.15
Rot. Bonds4

About 2-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]acetic acid

2-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]acetic acid (PubChem CID 21078394) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is 2-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]acetic acid
PubChem CID21078394
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Name2-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1Oc1cncc(Cl)c1
InChIInChI=1S/C13H10ClNO3/c14-10-6-11(8-15-7-10)18-12-4-2-1-3-9(12)5-13(16)17/h1-4,6-8H,5H2,(H,16,17)
InChIKeySXKDJLLUWOAEOV-UHFFFAOYSA-N
XLogP3.15
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 64600037
N-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-1-amine
CID 64600243
2-[2-[2-(carboxymethyl)phenoxy]phenyl]acetic acid
CID 14801619
[4-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methanol
CID 81239132
ethyl 2-amino-3-[(5-chloro-3-pyridinyl)oxy]benzoate
CID 115547310
(1R)-1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanamine
CID 78996800
3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzoic acid
CID 105405869
3,5-bis[(5-chloro-3-pyridinyl)oxy]pyridine
CID 102468102
3-[2-(4-chlorophenoxy)phenyl]propanoic acid
CID 2764439
1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-4-carboxylic acid
CID 106765808
1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]-N-methylpropan-1-amine
CID 112678488
2-(2-pyrimidin-2-yloxyphenyl)acetic acid
CID 70166639

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]acetic acid?
The IUPAC name of 2-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]acetic acid (CID 21078394) is 2-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]acetic acid is O=C(O)Cc1ccccc1Oc1cncc(Cl)c1.
What is the InChIKey of 2-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]acetic acid?
The InChIKey is SXKDJLLUWOAEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c14-10-6-11(8-15-7-10)18-12-4-2-1-3-9(12)5-13(16)17/h1-4,6-8H,5H2,(H,16,17).
What are the key properties of 2-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]acetic acid?
2-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]acetic acid has a molecular weight of 263.68 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]acetic acid is sourced from PubChem (CID 21078394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).