sodium;1,3-dichloroindole-2-carboxylic acid;hydride

C9H6Cl2NNaO2 — CID 173348475

IUPACsodium;1,3-dichloroindole-2-carboxylic acid;hydride
SMILESO=C(O)c1c(Cl)c2ccccc2n1Cl.[H-].[Na+]
InChIInChI=1S/C9H5Cl2NO2.Na.H/c10-7-5-3-1-2-4-6(5)12(11)8(7)9(13)14;;/h1-4H,(H,13,14);;/q;+1;-1
InChIKeySNQOZKCLWIIWSI-UHFFFAOYSA-N
MW254.05 g/mol
LogP0.11
Rot. Bonds1

About sodium;1,3-dichloroindole-2-carboxylic acid;hydride

sodium;1,3-dichloroindole-2-carboxylic acid;hydride (PubChem CID 173348475) has the molecular formula C9H6Cl2NNaO2 and a molecular weight of 254.05 g/mol. Its IUPAC name is sodium;1,3-dichloroindole-2-carboxylic acid;hydride.

Molecular Properties

Compound Namesodium;1,3-dichloroindole-2-carboxylic acid;hydride
PubChem CID173348475
Molecular FormulaC9H6Cl2NNaO2
Molecular Weight254.05 g/mol
Exact Mass252.97
IUPAC Namesodium;1,3-dichloroindole-2-carboxylic acid;hydride
SMILESO=C(O)c1c(Cl)c2ccccc2n1Cl.[H-].[Na+]
InChIInChI=1S/C9H5Cl2NO2.Na.H/c10-7-5-3-1-2-4-6(5)12(11)8(7)9(13)14;;/h1-4H,(H,13,14);;/q;+1;-1
InChIKeySNQOZKCLWIIWSI-UHFFFAOYSA-N
XLogP0.11
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.05
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 1,3-dichloroindole-2-carboxylate
CID 67415286
3-chloro-N-(diaminomethylidene)-1-methylindole-2-carboxamide
CID 15290318
1-(benzenesulfonyl)-3-chloroindole-2-carboxamide
CID 133055740
1-chloro-2-phenylindole-3-carboxylic acid
CID 174717674
3-chloro-N'-(4-chlorobenzoyl)-1-methylindole-2-carbohydrazide
CID 55666003
2-(3-chloro-1-methylindol-2-yl)acetic acid
CID 83891410
3-chloro-N-(2-hydroxypropyl)-1-methylindole-2-carboxamide
CID 110900786
3-bromo-1-methylindole-2-carboxylic acid
CID 15290332
3-methoxy-1-methylindole-2-carboxylic acid
CID 12619892
3-chloro-1-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)indole-2-carboxamide
CID 55665946
(3R)-1-(3-chloro-1-methylindole-2-carbonyl)piperidine-3-carboxylic acid
CID 124696894
3-(2-amino-2-oxoethyl)-1-methylindole-2-carboxylic acid
CID 12826450

Frequently Asked Questions

What is the IUPAC name of sodium;1,3-dichloroindole-2-carboxylic acid;hydride?
The IUPAC name of sodium;1,3-dichloroindole-2-carboxylic acid;hydride (CID 173348475) is sodium;1,3-dichloroindole-2-carboxylic acid;hydride.
What is the SMILES notation for sodium;1,3-dichloroindole-2-carboxylic acid;hydride?
The canonical SMILES for sodium;1,3-dichloroindole-2-carboxylic acid;hydride is O=C(O)c1c(Cl)c2ccccc2n1Cl.[H-].[Na+].
What is the InChIKey of sodium;1,3-dichloroindole-2-carboxylic acid;hydride?
The InChIKey is SNQOZKCLWIIWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NO2.Na.H/c10-7-5-3-1-2-4-6(5)12(11)8(7)9(13)14;;/h1-4H,(H,13,14);;/q;+1;-1.
What are the key properties of sodium;1,3-dichloroindole-2-carboxylic acid;hydride?
sodium;1,3-dichloroindole-2-carboxylic acid;hydride has a molecular weight of 254.05 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1,3-dichloroindole-2-carboxylic acid;hydride is sourced from PubChem (CID 173348475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).