2-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]acetic acid

C13H10BrNO3 — CID 61395505

IUPAC2-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Oc2ncccc2Br)cc1
InChIInChI=1S/C13H10BrNO3/c14-11-2-1-7-15-13(11)18-10-5-3-9(4-6-10)8-12(16)17/h1-7H,8H2,(H,16,17)
InChIKeyPSXNADYEJCHNOZ-UHFFFAOYSA-N
MW308.13 g/mol
LogP3.26
Rot. Bonds4

About 2-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]acetic acid

2-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]acetic acid (PubChem CID 61395505) has the molecular formula C13H10BrNO3 and a molecular weight of 308.13 g/mol. Its IUPAC name is 2-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]acetic acid
PubChem CID61395505
Molecular FormulaC13H10BrNO3
Molecular Weight308.13 g/mol
Exact Mass306.98
IUPAC Name2-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(Oc2ncccc2Br)cc1
InChIInChI=1S/C13H10BrNO3/c14-11-2-1-7-15-13(11)18-10-5-3-9(4-6-10)8-12(16)17/h1-7H,8H2,(H,16,17)
InChIKeyPSXNADYEJCHNOZ-UHFFFAOYSA-N
XLogP3.26
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.13
LogP ≤ 53.26
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-[(2-methyl-3-pyridinyl)oxy]phenyl]acetic acid
CID 71246278
3-bromo-2-(4-butylphenoxy)pyridine
CID 115493013
2-(4-pyridin-4-yloxyphenyl)acetic acid;hydrochloride
CID 71756945
3-bromo-2-(4-chloro-3-ethylphenoxy)pyridine
CID 63462551
2-(4-hydroperoxyphenyl)acetic acid
CID 151534269
2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid
CID 18958983
3-bromo-2-[4-(1,1-difluoroethyl)phenoxy]pyridine
CID 135246459
5-[(3-bromo-2-pyridinyl)oxy]pyridin-2-amine
CID 135246357
2-[4-(5-fluoropyrimidin-2-yl)oxyphenyl]acetic acid
CID 113432159
1,3-benzothiazol-2-yl-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]carbamic acid
CID 67415802
2-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)acetic acid
CID 61395524

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]acetic acid?
The IUPAC name of 2-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]acetic acid (CID 61395505) is 2-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]acetic acid is O=C(O)Cc1ccc(Oc2ncccc2Br)cc1.
What is the InChIKey of 2-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]acetic acid?
The InChIKey is PSXNADYEJCHNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO3/c14-11-2-1-7-15-13(11)18-10-5-3-9(4-6-10)8-12(16)17/h1-7H,8H2,(H,16,17).
What are the key properties of 2-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]acetic acid?
2-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]acetic acid has a molecular weight of 308.13 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]acetic acid is sourced from PubChem (CID 61395505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).