2-(3-bromo-5-chloro-2-pyridinyl)-3-(3-chlorophenyl)propanoic acid

C14H10BrCl2NO2 — CID 114838814

IUPAC2-(3-bromo-5-chloro-2-pyridinyl)-3-(3-chlorophenyl)propanoic acid
SMILESO=C(O)C(Cc1cccc(Cl)c1)c1ncc(Cl)cc1Br
InChIInChI=1S/C14H10BrCl2NO2/c15-12-6-10(17)7-18-13(12)11(14(19)20)5-8-2-1-3-9(16)4-8/h1-4,6-7,11H,5H2,(H,19,20)
InChIKeyRJKMQIKHILZOSB-UHFFFAOYSA-N
MW375.05 g/mol
LogP4.56
Rot. Bonds4

About 2-(3-bromo-5-chloro-2-pyridinyl)-3-(3-chlorophenyl)propanoic acid

2-(3-bromo-5-chloro-2-pyridinyl)-3-(3-chlorophenyl)propanoic acid (PubChem CID 114838814) has the molecular formula C14H10BrCl2NO2 and a molecular weight of 375.05 g/mol. Its IUPAC name is 2-(3-bromo-5-chloro-2-pyridinyl)-3-(3-chlorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-bromo-5-chloro-2-pyridinyl)-3-(3-chlorophenyl)propanoic acid
PubChem CID114838814
Molecular FormulaC14H10BrCl2NO2
Molecular Weight375.05 g/mol
Exact Mass372.93
IUPAC Name2-(3-bromo-5-chloro-2-pyridinyl)-3-(3-chlorophenyl)propanoic acid
SMILESO=C(O)C(Cc1cccc(Cl)c1)c1ncc(Cl)cc1Br
InChIInChI=1S/C14H10BrCl2NO2/c15-12-6-10(17)7-18-13(12)11(14(19)20)5-8-2-1-3-9(16)4-8/h1-4,6-7,11H,5H2,(H,19,20)
InChIKeyRJKMQIKHILZOSB-UHFFFAOYSA-N
XLogP4.56
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.05
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-5-chloro-2-pyridinyl)-3-(4-methylphenyl)propanoic acid
CID 114838809
2-(5-bromo-3-methyl-2-pyridinyl)-3-(3-chlorophenyl)propanoic acid
CID 104573362
3-(3-chlorophenyl)-2-(3-methyl-2-pyridinyl)propanoic acid
CID 104573313
3-(3-bromophenyl)-2-(5-chloropyrimidin-2-yl)propanoic acid
CID 104573212
3-(3-chlorophenyl)-2-(5-methylpyrimidin-2-yl)propanoic acid
CID 104573378
2-chloro-3-(3-chlorophenyl)propanoic acid
CID 10867759
2-(5-chloro-3-nitro-2-pyridinyl)-3-phenylpropanoic acid
CID 104571553
3-(3-chlorophenyl)-2-(1,2,4-thiadiazol-5-yl)propanoic acid
CID 104573332
2-(5-bromopyrimidin-4-yl)-3-(3-fluorophenyl)propanoic acid
CID 113428182
3-(3-chlorophenyl)-2-(6-methylpyrimidin-4-yl)propanoic acid
CID 104573375
(2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 39240389
2-(3-bromo-5-methyl-2-pyridinyl)-3-(4-bromophenyl)propanoic acid
CID 105368877

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-chloro-2-pyridinyl)-3-(3-chlorophenyl)propanoic acid?
The IUPAC name of 2-(3-bromo-5-chloro-2-pyridinyl)-3-(3-chlorophenyl)propanoic acid (CID 114838814) is 2-(3-bromo-5-chloro-2-pyridinyl)-3-(3-chlorophenyl)propanoic acid.
What is the SMILES notation for 2-(3-bromo-5-chloro-2-pyridinyl)-3-(3-chlorophenyl)propanoic acid?
The canonical SMILES for 2-(3-bromo-5-chloro-2-pyridinyl)-3-(3-chlorophenyl)propanoic acid is O=C(O)C(Cc1cccc(Cl)c1)c1ncc(Cl)cc1Br.
What is the InChIKey of 2-(3-bromo-5-chloro-2-pyridinyl)-3-(3-chlorophenyl)propanoic acid?
The InChIKey is RJKMQIKHILZOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2NO2/c15-12-6-10(17)7-18-13(12)11(14(19)20)5-8-2-1-3-9(16)4-8/h1-4,6-7,11H,5H2,(H,19,20).
What are the key properties of 2-(3-bromo-5-chloro-2-pyridinyl)-3-(3-chlorophenyl)propanoic acid?
2-(3-bromo-5-chloro-2-pyridinyl)-3-(3-chlorophenyl)propanoic acid has a molecular weight of 375.05 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-chloro-2-pyridinyl)-3-(3-chlorophenyl)propanoic acid is sourced from PubChem (CID 114838814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).