5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylic acid

C15H11ClN2O2 — CID 140967702

IUPAC5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylic acid
SMILESCc1ccnc(-n2c(C(=O)O)cc3cc(Cl)ccc32)c1
InChIInChI=1S/C15H11ClN2O2/c1-9-4-5-17-14(6-9)18-12-3-2-11(16)7-10(12)8-13(18)15(19)20/h2-8H,1H3,(H,19,20)
InChIKeyUDZREWZBRLLPMM-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.69
Rot. Bonds2

About 5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylic acid

5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylic acid (PubChem CID 140967702) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylic acid
PubChem CID140967702
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylic acid
SMILESCc1ccnc(-n2c(C(=O)O)cc3cc(Cl)ccc32)c1
InChIInChI=1S/C15H11ClN2O2/c1-9-4-5-17-14(6-9)18-12-3-2-11(16)7-10(12)8-13(18)15(19)20/h2-8H,1H3,(H,19,20)
InChIKeyUDZREWZBRLLPMM-UHFFFAOYSA-N
XLogP3.69
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylic acid?
The IUPAC name of 5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylic acid (CID 140967702) is 5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylic acid.
What is the SMILES notation for 5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylic acid?
The canonical SMILES for 5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylic acid is Cc1ccnc(-n2c(C(=O)O)cc3cc(Cl)ccc32)c1.
What is the InChIKey of 5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylic acid?
The InChIKey is UDZREWZBRLLPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-9-4-5-17-14(6-9)18-12-3-2-11(16)7-10(12)8-13(18)15(19)20/h2-8H,1H3,(H,19,20).
What are the key properties of 5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylic acid?
5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylic acid has a molecular weight of 286.72 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-methyl-2-pyridinyl)indole-2-carboxylic acid is sourced from PubChem (CID 140967702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).