6-chloro-5-(4-pyrrolidin-3-ylphenyl)-1H-indole-3-carboxylic acid

C19H17ClN2O2 — CID 86698615

IUPAC6-chloro-5-(4-pyrrolidin-3-ylphenyl)-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(C4CCNC4)cc3)cc12
InChIInChI=1S/C19H17ClN2O2/c20-17-8-18-15(16(10-22-18)19(23)24)7-14(17)12-3-1-11(2-4-12)13-5-6-21-9-13/h1-4,7-8,10,13,21-22H,5-6,9H2,(H,23,24)
InChIKeyDNDVBPXZTTXHLB-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.26
Rot. Bonds3

About 6-chloro-5-(4-pyrrolidin-3-ylphenyl)-1H-indole-3-carboxylic acid

6-chloro-5-(4-pyrrolidin-3-ylphenyl)-1H-indole-3-carboxylic acid (PubChem CID 86698615) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 6-chloro-5-(4-pyrrolidin-3-ylphenyl)-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-5-(4-pyrrolidin-3-ylphenyl)-1H-indole-3-carboxylic acid
PubChem CID86698615
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name6-chloro-5-(4-pyrrolidin-3-ylphenyl)-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(C4CCNC4)cc3)cc12
InChIInChI=1S/C19H17ClN2O2/c20-17-8-18-15(16(10-22-18)19(23)24)7-14(17)12-3-1-11(2-4-12)13-5-6-21-9-13/h1-4,7-8,10,13,21-22H,5-6,9H2,(H,23,24)
InChIKeyDNDVBPXZTTXHLB-UHFFFAOYSA-N
XLogP4.26
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(4-pyrrolidin-3-ylphenyl)-1H-indole-3-carboxylic acid?
The IUPAC name of 6-chloro-5-(4-pyrrolidin-3-ylphenyl)-1H-indole-3-carboxylic acid (CID 86698615) is 6-chloro-5-(4-pyrrolidin-3-ylphenyl)-1H-indole-3-carboxylic acid.
What is the SMILES notation for 6-chloro-5-(4-pyrrolidin-3-ylphenyl)-1H-indole-3-carboxylic acid?
The canonical SMILES for 6-chloro-5-(4-pyrrolidin-3-ylphenyl)-1H-indole-3-carboxylic acid is O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(C4CCNC4)cc3)cc12.
What is the InChIKey of 6-chloro-5-(4-pyrrolidin-3-ylphenyl)-1H-indole-3-carboxylic acid?
The InChIKey is DNDVBPXZTTXHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c20-17-8-18-15(16(10-22-18)19(23)24)7-14(17)12-3-1-11(2-4-12)13-5-6-21-9-13/h1-4,7-8,10,13,21-22H,5-6,9H2,(H,23,24).
What are the key properties of 6-chloro-5-(4-pyrrolidin-3-ylphenyl)-1H-indole-3-carboxylic acid?
6-chloro-5-(4-pyrrolidin-3-ylphenyl)-1H-indole-3-carboxylic acid has a molecular weight of 340.81 g/mol, XLogP of 4.26, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(4-pyrrolidin-3-ylphenyl)-1H-indole-3-carboxylic acid is sourced from PubChem (CID 86698615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).