4-chloro-2-methyl-1,3-dihydroindole-2-carboxylic acid

C10H10ClNO2 — CID 117193289

IUPAC4-chloro-2-methyl-1,3-dihydroindole-2-carboxylic acid
SMILESCC1(C(=O)O)Cc2c(Cl)cccc2N1
InChIInChI=1S/C10H10ClNO2/c1-10(9(13)14)5-6-7(11)3-2-4-8(6)12-10/h2-4,12H,5H2,1H3,(H,13,14)
InChIKeyHCYGEEPRGDFHIG-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.15
Rot. Bonds1

About 4-chloro-2-methyl-1,3-dihydroindole-2-carboxylic acid

4-chloro-2-methyl-1,3-dihydroindole-2-carboxylic acid (PubChem CID 117193289) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 4-chloro-2-methyl-1,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name4-chloro-2-methyl-1,3-dihydroindole-2-carboxylic acid
PubChem CID117193289
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name4-chloro-2-methyl-1,3-dihydroindole-2-carboxylic acid
SMILESCC1(C(=O)O)Cc2c(Cl)cccc2N1
InChIInChI=1S/C10H10ClNO2/c1-10(9(13)14)5-6-7(11)3-2-4-8(6)12-10/h2-4,12H,5H2,1H3,(H,13,14)
InChIKeyHCYGEEPRGDFHIG-UHFFFAOYSA-N
XLogP2.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-(trifluoromethyl)-1,3-dihydroindole-2-carboxylic acid
CID 117193277
5-chloro-3-methyl-2,4-dihydro-1H-quinolin-3-ol
CID 105451209
2-(5-chloro-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-phenylethanone
CID 69214512
5,6-dihydroxy-2-methyl-1,3-dihydroindole-2-carboxylic acid
CID 123269771
(2S)-5-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 130615096
methyl (1aS,7bS)-4-chloro-1,2,3,7b-tetrahydrocyclopropa[c]isoquinoline-1a-carboxylate
CID 99942437
1-amino-5-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83911210
4-chloro-3,3-dimethyl-1H-indol-2-one
CID 53402598
2-(4-chloro-2-ethyl-1,3-dihydroinden-2-yl)acetic acid
CID 10198635
2-chloro-1,3-dihydroindole-2-carboxylic acid
CID 57188520
2-(2,6-dichlorophenyl)-2-methylcyclopropane-1-carboxylic acid
CID 130900676
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-1,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 4-chloro-2-methyl-1,3-dihydroindole-2-carboxylic acid (CID 117193289) is 4-chloro-2-methyl-1,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 4-chloro-2-methyl-1,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 4-chloro-2-methyl-1,3-dihydroindole-2-carboxylic acid is CC1(C(=O)O)Cc2c(Cl)cccc2N1.
What is the InChIKey of 4-chloro-2-methyl-1,3-dihydroindole-2-carboxylic acid?
The InChIKey is HCYGEEPRGDFHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-10(9(13)14)5-6-7(11)3-2-4-8(6)12-10/h2-4,12H,5H2,1H3,(H,13,14).
What are the key properties of 4-chloro-2-methyl-1,3-dihydroindole-2-carboxylic acid?
4-chloro-2-methyl-1,3-dihydroindole-2-carboxylic acid has a molecular weight of 211.65 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-1,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 117193289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).