7-chloro-5-fluoro-1H-indole-2-carboxylic acid

C9H5ClFNO2 — CID 59529914

IUPAC7-chloro-5-fluoro-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(F)cc(Cl)c2[nH]1
InChIInChI=1S/C9H5ClFNO2/c10-6-3-5(11)1-4-2-7(9(13)14)12-8(4)6/h1-3,12H,(H,13,14)
InChIKeyRPVKLDOSNVTXHF-UHFFFAOYSA-N
MW213.59 g/mol
LogP2.66
Rot. Bonds1

About 7-chloro-5-fluoro-1H-indole-2-carboxylic acid

7-chloro-5-fluoro-1H-indole-2-carboxylic acid (PubChem CID 59529914) has the molecular formula C9H5ClFNO2 and a molecular weight of 213.59 g/mol. Its IUPAC name is 7-chloro-5-fluoro-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-5-fluoro-1H-indole-2-carboxylic acid
PubChem CID59529914
Molecular FormulaC9H5ClFNO2
Molecular Weight213.59 g/mol
Exact Mass213.00
IUPAC Name7-chloro-5-fluoro-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(F)cc(Cl)c2[nH]1
InChIInChI=1S/C9H5ClFNO2/c10-6-3-5(11)1-4-2-7(9(13)14)12-8(4)6/h1-3,12H,(H,13,14)
InChIKeyRPVKLDOSNVTXHF-UHFFFAOYSA-N
XLogP2.66
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.59
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 125457754
7-fluoro-6-methyl-1H-indole-2-carboxylic acid
CID 22338205
7-chloro-2-methyl-1H-indole-5-carboxylic acid
CID 70229243
5-chloro-7-nitro-1H-indole-2-carboxylic acid
CID 59542969
6,8-difluoro-4-oxo-1H-quinoline-2-carboxylic acid
CID 22017454
3-(3-chloro-5-fluoro-2-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 136991076
7-bromo-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 133059860
3-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 64592198
5-amino-7-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 82386002
8-chloro-6-iodo-4-oxo-1H-quinoline-2-carboxylic acid
CID 107608030
2,3-dichloro-5-fluorobenzoic acid
CID 19013031
5-(7-chloro-1H-indol-2-yl)-1H-pyrrole-2-carboxylic acid
CID 115110110

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-fluoro-1H-indole-2-carboxylic acid?
The IUPAC name of 7-chloro-5-fluoro-1H-indole-2-carboxylic acid (CID 59529914) is 7-chloro-5-fluoro-1H-indole-2-carboxylic acid.
What is the SMILES notation for 7-chloro-5-fluoro-1H-indole-2-carboxylic acid?
The canonical SMILES for 7-chloro-5-fluoro-1H-indole-2-carboxylic acid is O=C(O)c1cc2cc(F)cc(Cl)c2[nH]1.
What is the InChIKey of 7-chloro-5-fluoro-1H-indole-2-carboxylic acid?
The InChIKey is RPVKLDOSNVTXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFNO2/c10-6-3-5(11)1-4-2-7(9(13)14)12-8(4)6/h1-3,12H,(H,13,14).
What are the key properties of 7-chloro-5-fluoro-1H-indole-2-carboxylic acid?
7-chloro-5-fluoro-1H-indole-2-carboxylic acid has a molecular weight of 213.59 g/mol, XLogP of 2.66, 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-1H-indole-2-carboxylic acid is sourced from PubChem (CID 59529914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).