3-(3-chloro-2-pyridinyl)-1H-indole-5-carboxylic acid

C14H9ClN2O2 — CID 167767166

IUPAC3-(3-chloro-2-pyridinyl)-1H-indole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]cc(-c3ncccc3Cl)c2c1
InChIInChI=1S/C14H9ClN2O2/c15-11-2-1-5-16-13(11)10-7-17-12-4-3-8(14(18)19)6-9(10)12/h1-7,17H,(H,18,19)
InChIKeyBLFFMHFWDPQHGY-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.58
Rot. Bonds2

About 3-(3-chloro-2-pyridinyl)-1H-indole-5-carboxylic acid

3-(3-chloro-2-pyridinyl)-1H-indole-5-carboxylic acid (PubChem CID 167767166) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is 3-(3-chloro-2-pyridinyl)-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-chloro-2-pyridinyl)-1H-indole-5-carboxylic acid
PubChem CID167767166
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name3-(3-chloro-2-pyridinyl)-1H-indole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]cc(-c3ncccc3Cl)c2c1
InChIInChI=1S/C14H9ClN2O2/c15-11-2-1-5-16-13(11)10-7-17-12-4-3-8(14(18)19)6-9(10)12/h1-7,17H,(H,18,19)
InChIKeyBLFFMHFWDPQHGY-UHFFFAOYSA-N
XLogP3.58
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-pyridinyl)-1H-indole-5-carboxylic acid?
The IUPAC name of 3-(3-chloro-2-pyridinyl)-1H-indole-5-carboxylic acid (CID 167767166) is 3-(3-chloro-2-pyridinyl)-1H-indole-5-carboxylic acid.
What is the SMILES notation for 3-(3-chloro-2-pyridinyl)-1H-indole-5-carboxylic acid?
The canonical SMILES for 3-(3-chloro-2-pyridinyl)-1H-indole-5-carboxylic acid is O=C(O)c1ccc2[nH]cc(-c3ncccc3Cl)c2c1.
What is the InChIKey of 3-(3-chloro-2-pyridinyl)-1H-indole-5-carboxylic acid?
The InChIKey is BLFFMHFWDPQHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-11-2-1-5-16-13(11)10-7-17-12-4-3-8(14(18)19)6-9(10)12/h1-7,17H,(H,18,19).
What are the key properties of 3-(3-chloro-2-pyridinyl)-1H-indole-5-carboxylic acid?
3-(3-chloro-2-pyridinyl)-1H-indole-5-carboxylic acid has a molecular weight of 272.69 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-pyridinyl)-1H-indole-5-carboxylic acid is sourced from PubChem (CID 167767166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).