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

C15H13BrClNO2 — CID 104573362

IUPAC2-(5-bromo-3-methyl-2-pyridinyl)-3-(3-chlorophenyl)propanoic acid
SMILESCc1cc(Br)cnc1C(Cc1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C15H13BrClNO2/c1-9-5-11(16)8-18-14(9)13(15(19)20)7-10-3-2-4-12(17)6-10/h2-6,8,13H,7H2,1H3,(H,19,20)
InChIKeyANBFUWVCGZANJU-UHFFFAOYSA-N
MW354.63 g/mol
LogP4.22
Rot. Bonds4

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

2-(5-bromo-3-methyl-2-pyridinyl)-3-(3-chlorophenyl)propanoic acid (PubChem CID 104573362) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is 2-(5-bromo-3-methyl-2-pyridinyl)-3-(3-chlorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(5-bromo-3-methyl-2-pyridinyl)-3-(3-chlorophenyl)propanoic acid
PubChem CID104573362
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC Name2-(5-bromo-3-methyl-2-pyridinyl)-3-(3-chlorophenyl)propanoic acid
SMILESCc1cc(Br)cnc1C(Cc1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C15H13BrClNO2/c1-9-5-11(16)8-18-14(9)13(15(19)20)7-10-3-2-4-12(17)6-10/h2-6,8,13H,7H2,1H3,(H,19,20)
InChIKeyANBFUWVCGZANJU-UHFFFAOYSA-N
XLogP4.22
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-5-chloro-2-pyridinyl)-3-(3-chlorophenyl)propanoic acid
CID 114838814
3-(3-chlorophenyl)-2-(3-methyl-2-pyridinyl)propanoic acid
CID 104573313
3-(3-chlorophenyl)-2-(5-methylpyrimidin-2-yl)propanoic acid
CID 104573378
3-(3-chlorophenyl)-2-(6-methylpyrimidin-4-yl)propanoic acid
CID 104573375
3-(3-bromophenyl)-2-(5-chloropyrimidin-2-yl)propanoic acid
CID 104573212
2-(3-bromo-5-chloro-2-pyridinyl)-3-(4-methylphenyl)propanoic acid
CID 114838809
2-chloro-3-(3-chlorophenyl)propanoic acid
CID 10867759
3-(3-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid
CID 83955946
(2R)-3-(3-chlorophenyl)-2-methylpropanoic acid;molecular fluorine
CID 167711983
3-(3-chlorophenyl)-2-(1,2,4-thiadiazol-5-yl)propanoic acid
CID 104573332
(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-(5-bromo-3-methyl-2-pyridinyl)-3-(3-chlorophenyl)propanoic acid?
The IUPAC name of 2-(5-bromo-3-methyl-2-pyridinyl)-3-(3-chlorophenyl)propanoic acid (CID 104573362) is 2-(5-bromo-3-methyl-2-pyridinyl)-3-(3-chlorophenyl)propanoic acid.
What is the SMILES notation for 2-(5-bromo-3-methyl-2-pyridinyl)-3-(3-chlorophenyl)propanoic acid?
The canonical SMILES for 2-(5-bromo-3-methyl-2-pyridinyl)-3-(3-chlorophenyl)propanoic acid is Cc1cc(Br)cnc1C(Cc1cccc(Cl)c1)C(=O)O.
What is the InChIKey of 2-(5-bromo-3-methyl-2-pyridinyl)-3-(3-chlorophenyl)propanoic acid?
The InChIKey is ANBFUWVCGZANJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c1-9-5-11(16)8-18-14(9)13(15(19)20)7-10-3-2-4-12(17)6-10/h2-6,8,13H,7H2,1H3,(H,19,20).
What are the key properties of 2-(5-bromo-3-methyl-2-pyridinyl)-3-(3-chlorophenyl)propanoic acid?
2-(5-bromo-3-methyl-2-pyridinyl)-3-(3-chlorophenyl)propanoic acid has a molecular weight of 354.63 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-methyl-2-pyridinyl)-3-(3-chlorophenyl)propanoic acid is sourced from PubChem (CID 104573362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).