3-[2-(3-chloro-4-pyridinyl)-1H-indol-5-yl]propanoic acid

C16H13ClN2O2 — CID 164627496

IUPAC3-[2-(3-chloro-4-pyridinyl)-1H-indol-5-yl]propanoic acid
SMILESO=C(O)CCc1ccc2[nH]c(-c3ccncc3Cl)cc2c1
InChIInChI=1S/C16H13ClN2O2/c17-13-9-18-6-5-12(13)15-8-11-7-10(2-4-16(20)21)1-3-14(11)19-15/h1,3,5-9,19H,2,4H2,(H,20,21)
InChIKeyIWNHOHBRZROIEO-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.90
Rot. Bonds4

About 3-[2-(3-chloro-4-pyridinyl)-1H-indol-5-yl]propanoic acid

3-[2-(3-chloro-4-pyridinyl)-1H-indol-5-yl]propanoic acid (PubChem CID 164627496) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 3-[2-(3-chloro-4-pyridinyl)-1H-indol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(3-chloro-4-pyridinyl)-1H-indol-5-yl]propanoic acid
PubChem CID164627496
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name3-[2-(3-chloro-4-pyridinyl)-1H-indol-5-yl]propanoic acid
SMILESO=C(O)CCc1ccc2[nH]c(-c3ccncc3Cl)cc2c1
InChIInChI=1S/C16H13ClN2O2/c17-13-9-18-6-5-12(13)15-8-11-7-10(2-4-16(20)21)1-3-14(11)19-15/h1,3,5-9,19H,2,4H2,(H,20,21)
InChIKeyIWNHOHBRZROIEO-UHFFFAOYSA-N
XLogP3.90
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[2-(3-chloro-4-pyridinyl)-1H-indol-5-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(3-bromophenyl)-1H-indol-5-yl]propanoic acid
CID 142738569
3-[2-(3-methylphenyl)-1H-indol-5-yl]propanoic acid
CID 142738544
2-(3-chloro-4-pyridinyl)-5-methyl-1H-pyrrolo[3,2-b]pyridine
CID 141247128
3-(1H-indol-6-yl)propanoic acid
CID 23178857
3-(3-methyl-2-pyridin-3-yl-1H-indol-5-yl)propanoic acid;hydrochloride
CID 70490518
3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride
CID 132889297
3-(2-tert-butyl-3H-benzimidazol-5-yl)propanoic acid
CID 82295246
3-pyridin-4-yl-1-[4-(2-pyridin-4-yl-1H-indol-5-yl)-2-pyridinyl]propan-1-one
CID 58506035
2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141246993
6-(3,4-dichlorophenyl)hexanoic acid
CID 43446941
ethyl 3-[2-[2-(trifluoromethyl)phenyl]-1H-indol-5-yl]propanoate
CID 142738596
3-(6-ethylnaphthalen-2-yl)propanoic acid
CID 144687708

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chloro-4-pyridinyl)-1H-indol-5-yl]propanoic acid?
The IUPAC name of 3-[2-(3-chloro-4-pyridinyl)-1H-indol-5-yl]propanoic acid (CID 164627496) is 3-[2-(3-chloro-4-pyridinyl)-1H-indol-5-yl]propanoic acid.
What is the SMILES notation for 3-[2-(3-chloro-4-pyridinyl)-1H-indol-5-yl]propanoic acid?
The canonical SMILES for 3-[2-(3-chloro-4-pyridinyl)-1H-indol-5-yl]propanoic acid is O=C(O)CCc1ccc2[nH]c(-c3ccncc3Cl)cc2c1.
What is the InChIKey of 3-[2-(3-chloro-4-pyridinyl)-1H-indol-5-yl]propanoic acid?
The InChIKey is IWNHOHBRZROIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-13-9-18-6-5-12(13)15-8-11-7-10(2-4-16(20)21)1-3-14(11)19-15/h1,3,5-9,19H,2,4H2,(H,20,21).
What are the key properties of 3-[2-(3-chloro-4-pyridinyl)-1H-indol-5-yl]propanoic acid?
3-[2-(3-chloro-4-pyridinyl)-1H-indol-5-yl]propanoic acid has a molecular weight of 300.75 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chloro-4-pyridinyl)-1H-indol-5-yl]propanoic acid is sourced from PubChem (CID 164627496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).