methyl 3,5-difluoro-1H-indole-2-carboxylate

C10H7F2NO2 — CID 139034030

IUPACmethyl 3,5-difluoro-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccc(F)cc2c1F
InChIInChI=1S/C10H7F2NO2/c1-15-10(14)9-8(12)6-4-5(11)2-3-7(6)13-9/h2-4,13H,1H3
InChIKeyWQNNFEJQRGJMSB-UHFFFAOYSA-N
MW211.17 g/mol
LogP2.23
Rot. Bonds1

About methyl 3,5-difluoro-1H-indole-2-carboxylate

methyl 3,5-difluoro-1H-indole-2-carboxylate (PubChem CID 139034030) has the molecular formula C10H7F2NO2 and a molecular weight of 211.17 g/mol. Its IUPAC name is methyl 3,5-difluoro-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3,5-difluoro-1H-indole-2-carboxylate
PubChem CID139034030
Molecular FormulaC10H7F2NO2
Molecular Weight211.17 g/mol
Exact Mass211.04
IUPAC Namemethyl 3,5-difluoro-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccc(F)cc2c1F
InChIInChI=1S/C10H7F2NO2/c1-15-10(14)9-8(12)6-4-5(11)2-3-7(6)13-9/h2-4,13H,1H3
InChIKeyWQNNFEJQRGJMSB-UHFFFAOYSA-N
XLogP2.23
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 3,5-difluoro-1H-indole-2-carboxylate?
The IUPAC name of methyl 3,5-difluoro-1H-indole-2-carboxylate (CID 139034030) is methyl 3,5-difluoro-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 3,5-difluoro-1H-indole-2-carboxylate?
The canonical SMILES for methyl 3,5-difluoro-1H-indole-2-carboxylate is COC(=O)c1[nH]c2ccc(F)cc2c1F.
What is the InChIKey of methyl 3,5-difluoro-1H-indole-2-carboxylate?
The InChIKey is WQNNFEJQRGJMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO2/c1-15-10(14)9-8(12)6-4-5(11)2-3-7(6)13-9/h2-4,13H,1H3.
What are the key properties of methyl 3,5-difluoro-1H-indole-2-carboxylate?
methyl 3,5-difluoro-1H-indole-2-carboxylate has a molecular weight of 211.17 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-difluoro-1H-indole-2-carboxylate is sourced from PubChem (CID 139034030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).