2-chloro-5-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)benzoic acid

C22H15ClN2O2 — CID 149359278

IUPAC2-chloro-5-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)benzoic acid
SMILESO=C(O)c1cc(C2=C(c3ccncc3)N=C(c3ccccc3)C2)ccc1Cl
InChIInChI=1S/C22H15ClN2O2/c23-19-7-6-16(12-18(19)22(26)27)17-13-20(14-4-2-1-3-5-14)25-21(17)15-8-10-24-11-9-15/h1-12H,13H2,(H,26,27)
InChIKeyYHOWTVHZVYAKQV-UHFFFAOYSA-N
MW374.83 g/mol
LogP5.19
Rot. Bonds4

About 2-chloro-5-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)benzoic acid

2-chloro-5-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)benzoic acid (PubChem CID 149359278) has the molecular formula C22H15ClN2O2 and a molecular weight of 374.83 g/mol. Its IUPAC name is 2-chloro-5-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)benzoic acid.

Molecular Properties

Compound Name2-chloro-5-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)benzoic acid
PubChem CID149359278
Molecular FormulaC22H15ClN2O2
Molecular Weight374.83 g/mol
Exact Mass374.08
IUPAC Name2-chloro-5-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)benzoic acid
SMILESO=C(O)c1cc(C2=C(c3ccncc3)N=C(c3ccccc3)C2)ccc1Cl
InChIInChI=1S/C22H15ClN2O2/c23-19-7-6-16(12-18(19)22(26)27)17-13-20(14-4-2-1-3-5-14)25-21(17)15-8-10-24-11-9-15/h1-12H,13H2,(H,26,27)
InChIKeyYHOWTVHZVYAKQV-UHFFFAOYSA-N
XLogP5.19
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.83
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylsulfanyl-5-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)benzoic acid
CID 147998284
5-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)-1H-pyridin-2-one
CID 148508782
2,4,5-triphenyl-3H-pyrrole
CID 143156770
4-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid
CID 53229597
bis(benzene-1,2,4,5-tetracarboxylic acid);4-pyridin-4-ylpyridine
CID 71380958
2-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid
CID 53224258
4-(3,4-dichlorophenyl)pyridine-3-carboxylic acid
CID 14182189
2-chloro-5-(4-chloronaphthalen-1-yl)benzoic acid
CID 79592153
[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-3H-pyrrol-2-yl]phenyl]-dimethylsulfanium
CID 160716030
1-[3-(2-amino-5-phenyl-3H-pyrrol-4-yl)phenyl]-3-(3-chloro-4-methylphenyl)urea
CID 163481561
3-pyridin-4-ylnaphthalene-1-carboxylic acid
CID 3348527
2-chloro-5-(2-phenylpyrazol-3-yl)benzoic acid
CID 107330966

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)benzoic acid?
The IUPAC name of 2-chloro-5-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)benzoic acid (CID 149359278) is 2-chloro-5-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)benzoic acid.
What is the SMILES notation for 2-chloro-5-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)benzoic acid?
The canonical SMILES for 2-chloro-5-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)benzoic acid is O=C(O)c1cc(C2=C(c3ccncc3)N=C(c3ccccc3)C2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)benzoic acid?
The InChIKey is YHOWTVHZVYAKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O2/c23-19-7-6-16(12-18(19)22(26)27)17-13-20(14-4-2-1-3-5-14)25-21(17)15-8-10-24-11-9-15/h1-12H,13H2,(H,26,27).
What are the key properties of 2-chloro-5-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)benzoic acid?
2-chloro-5-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)benzoic acid has a molecular weight of 374.83 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)benzoic acid is sourced from PubChem (CID 149359278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).