7-chloro-5-fluoro-4-methyl-1H-indole-3-carboxylic acid

C10H7ClFNO2 — CID 45121043

IUPAC7-chloro-5-fluoro-4-methyl-1H-indole-3-carboxylic acid
SMILESCc1c(F)cc(Cl)c2[nH]cc(C(=O)O)c12
InChIInChI=1S/C10H7ClFNO2/c1-4-7(12)2-6(11)9-8(4)5(3-13-9)10(14)15/h2-3,13H,1H3,(H,14,15)
InChIKeyDSEMKMHGQZYZHH-UHFFFAOYSA-N
MW227.62 g/mol
LogP2.97
Rot. Bonds1

About 7-chloro-5-fluoro-4-methyl-1H-indole-3-carboxylic acid

7-chloro-5-fluoro-4-methyl-1H-indole-3-carboxylic acid (PubChem CID 45121043) has the molecular formula C10H7ClFNO2 and a molecular weight of 227.62 g/mol. Its IUPAC name is 7-chloro-5-fluoro-4-methyl-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-5-fluoro-4-methyl-1H-indole-3-carboxylic acid
PubChem CID45121043
Molecular FormulaC10H7ClFNO2
Molecular Weight227.62 g/mol
Exact Mass227.01
IUPAC Name7-chloro-5-fluoro-4-methyl-1H-indole-3-carboxylic acid
SMILESCc1c(F)cc(Cl)c2[nH]cc(C(=O)O)c12
InChIInChI=1S/C10H7ClFNO2/c1-4-7(12)2-6(11)9-8(4)5(3-13-9)10(14)15/h2-3,13H,1H3,(H,14,15)
InChIKeyDSEMKMHGQZYZHH-UHFFFAOYSA-N
XLogP2.97
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.62
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-fluoro-4-methyl-1H-indole-3-carboxylic acid?
The IUPAC name of 7-chloro-5-fluoro-4-methyl-1H-indole-3-carboxylic acid (CID 45121043) is 7-chloro-5-fluoro-4-methyl-1H-indole-3-carboxylic acid.
What is the SMILES notation for 7-chloro-5-fluoro-4-methyl-1H-indole-3-carboxylic acid?
The canonical SMILES for 7-chloro-5-fluoro-4-methyl-1H-indole-3-carboxylic acid is Cc1c(F)cc(Cl)c2[nH]cc(C(=O)O)c12.
What is the InChIKey of 7-chloro-5-fluoro-4-methyl-1H-indole-3-carboxylic acid?
The InChIKey is DSEMKMHGQZYZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO2/c1-4-7(12)2-6(11)9-8(4)5(3-13-9)10(14)15/h2-3,13H,1H3,(H,14,15).
What are the key properties of 7-chloro-5-fluoro-4-methyl-1H-indole-3-carboxylic acid?
7-chloro-5-fluoro-4-methyl-1H-indole-3-carboxylic acid has a molecular weight of 227.62 g/mol, XLogP of 2.97, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-fluoro-4-methyl-1H-indole-3-carboxylic acid is sourced from PubChem (CID 45121043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).