2-[4-(3-bromophenyl)-2-pyridinyl]acetic acid

C13H10BrNO2 — CID 82378249

IUPAC2-[4-(3-bromophenyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(-c2cccc(Br)c2)ccn1
InChIInChI=1S/C13H10BrNO2/c14-11-3-1-2-9(6-11)10-4-5-15-12(7-10)8-13(16)17/h1-7H,8H2,(H,16,17)
InChIKeyAEPZHSLSEKQWCU-UHFFFAOYSA-N
MW292.13 g/mol
LogP3.14
Rot. Bonds3

About 2-[4-(3-bromophenyl)-2-pyridinyl]acetic acid

2-[4-(3-bromophenyl)-2-pyridinyl]acetic acid (PubChem CID 82378249) has the molecular formula C13H10BrNO2 and a molecular weight of 292.13 g/mol. Its IUPAC name is 2-[4-(3-bromophenyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-bromophenyl)-2-pyridinyl]acetic acid
PubChem CID82378249
Molecular FormulaC13H10BrNO2
Molecular Weight292.13 g/mol
Exact Mass290.99
IUPAC Name2-[4-(3-bromophenyl)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(-c2cccc(Br)c2)ccn1
InChIInChI=1S/C13H10BrNO2/c14-11-3-1-2-9(6-11)10-4-5-15-12(7-10)8-13(16)17/h1-7H,8H2,(H,16,17)
InChIKeyAEPZHSLSEKQWCU-UHFFFAOYSA-N
XLogP3.14
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314293
2-[3-(3-bromophenyl)-1,2-oxazol-4-yl]acetic acid
CID 82307329
3-(4-phenyl-2-pyridinyl)propanoic acid
CID 115003999
2-[4-(3-bromophenyl)-1,2-oxazol-5-yl]acetic acid
CID 105423960
4-[4-(3-bromophenyl)pyrimidin-2-yl]butanoic acid
CID 116899863
1-bromo-3-phenylbenzene
CID 16449
2-(4-imidazo[1,2-a]pyridin-2-yl-2-pyridinyl)acetic acid
CID 82382048
3-[2-(3-bromophenyl)-1,3-thiazol-5-yl]propanoic acid
CID 82308929
[4-(3-phenylphenyl)-2-pyridinyl]methanamine
CID 177019282
2-methyl-3-(4-phenyl-2-pyridinyl)propanoic acid
CID 115009382
CID 131857449
CID 131857449
1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
CID 126764180

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromophenyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[4-(3-bromophenyl)-2-pyridinyl]acetic acid (CID 82378249) is 2-[4-(3-bromophenyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-(3-bromophenyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-(3-bromophenyl)-2-pyridinyl]acetic acid is O=C(O)Cc1cc(-c2cccc(Br)c2)ccn1.
What is the InChIKey of 2-[4-(3-bromophenyl)-2-pyridinyl]acetic acid?
The InChIKey is AEPZHSLSEKQWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO2/c14-11-3-1-2-9(6-11)10-4-5-15-12(7-10)8-13(16)17/h1-7H,8H2,(H,16,17).
What are the key properties of 2-[4-(3-bromophenyl)-2-pyridinyl]acetic acid?
2-[4-(3-bromophenyl)-2-pyridinyl]acetic acid has a molecular weight of 292.13 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-bromophenyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 82378249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).