4-chloro-7-[(1R)-1-hydroxyethyl]-1H-indole-5-carboxylic acid

C11H10ClNO3 — CID 90240146

IUPAC4-chloro-7-[(1R)-1-hydroxyethyl]-1H-indole-5-carboxylic acid
SMILESC[C@@H](O)c1cc(C(=O)O)c(Cl)c2cc[nH]c12
InChIInChI=1S/C11H10ClNO3/c1-5(14)7-4-8(11(15)16)9(12)6-2-3-13-10(6)7/h2-5,13-14H,1H3,(H,15,16)/t5-/m1/s1
InChIKeySQKVODNIBKONJR-RXMQYKEDSA-N
MW239.66 g/mol
LogP2.57
Rot. Bonds2

About 4-chloro-7-[(1R)-1-hydroxyethyl]-1H-indole-5-carboxylic acid

4-chloro-7-[(1R)-1-hydroxyethyl]-1H-indole-5-carboxylic acid (PubChem CID 90240146) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is 4-chloro-7-[(1R)-1-hydroxyethyl]-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name4-chloro-7-[(1R)-1-hydroxyethyl]-1H-indole-5-carboxylic acid
PubChem CID90240146
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Name4-chloro-7-[(1R)-1-hydroxyethyl]-1H-indole-5-carboxylic acid
SMILESC[C@@H](O)c1cc(C(=O)O)c(Cl)c2cc[nH]c12
InChIInChI=1S/C11H10ClNO3/c1-5(14)7-4-8(11(15)16)9(12)6-2-3-13-10(6)7/h2-5,13-14H,1H3,(H,15,16)/t5-/m1/s1
InChIKeySQKVODNIBKONJR-RXMQYKEDSA-N
XLogP2.57
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-[(1R)-1-hydroxyethyl]-1H-indole-5-carboxylic acid?
The IUPAC name of 4-chloro-7-[(1R)-1-hydroxyethyl]-1H-indole-5-carboxylic acid (CID 90240146) is 4-chloro-7-[(1R)-1-hydroxyethyl]-1H-indole-5-carboxylic acid.
What is the SMILES notation for 4-chloro-7-[(1R)-1-hydroxyethyl]-1H-indole-5-carboxylic acid?
The canonical SMILES for 4-chloro-7-[(1R)-1-hydroxyethyl]-1H-indole-5-carboxylic acid is C[C@@H](O)c1cc(C(=O)O)c(Cl)c2cc[nH]c12.
What is the InChIKey of 4-chloro-7-[(1R)-1-hydroxyethyl]-1H-indole-5-carboxylic acid?
The InChIKey is SQKVODNIBKONJR-RXMQYKEDSA-N. The full InChI is InChI=1S/C11H10ClNO3/c1-5(14)7-4-8(11(15)16)9(12)6-2-3-13-10(6)7/h2-5,13-14H,1H3,(H,15,16)/t5-/m1/s1.
What are the key properties of 4-chloro-7-[(1R)-1-hydroxyethyl]-1H-indole-5-carboxylic acid?
4-chloro-7-[(1R)-1-hydroxyethyl]-1H-indole-5-carboxylic acid has a molecular weight of 239.66 g/mol, XLogP of 2.57, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-[(1R)-1-hydroxyethyl]-1H-indole-5-carboxylic acid is sourced from PubChem (CID 90240146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).