methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate

C10H7ClFNO2 — CID 130408699

IUPACmethyl 4-chloro-5-fluoro-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(Cl)c(F)ccc2[nH]1
InChIInChI=1S/C10H7ClFNO2/c1-15-10(14)8-4-5-7(13-8)3-2-6(12)9(5)11/h2-4,13H,1H3
InChIKeyREXSHWFACLHVDH-UHFFFAOYSA-N
MW227.62 g/mol
LogP2.75
Rot. Bonds1

About methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate

methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate (PubChem CID 130408699) has the molecular formula C10H7ClFNO2 and a molecular weight of 227.62 g/mol. Its IUPAC name is methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-5-fluoro-1H-indole-2-carboxylate
PubChem CID130408699
Molecular FormulaC10H7ClFNO2
Molecular Weight227.62 g/mol
Exact Mass227.01
IUPAC Namemethyl 4-chloro-5-fluoro-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(Cl)c(F)ccc2[nH]1
InChIInChI=1S/C10H7ClFNO2/c1-15-10(14)8-4-5-7(13-8)3-2-6(12)9(5)11/h2-4,13H,1H3
InChIKeyREXSHWFACLHVDH-UHFFFAOYSA-N
XLogP2.75
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.62
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 5-fluoro-4-hydroxy-1H-indole-2-carboxylate
CID 131390068
methyl 7-fluoro-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylate
CID 141490537
methyl 6-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate
CID 155973516
methyl 5-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate
CID 66927086
methyl 8-chloro-5-fluoro-1-oxo-2H-isoquinoline-3-carboxylate
CID 114517685
methyl 5,6-difluoro-1-oxo-2H-isoquinoline-3-carboxylate
CID 53429425
methyl 4-amino-1H-indole-2-carboxylate
CID 19955413
4-chloro-5-fluoro-1H-indol-2-ol
CID 57263586
methyl 4-bromo-5-iodo-1H-indole-2-carboxylate
CID 147093940
5-chloro-6-fluoro-3-methyl-1H-quinolin-2-one
CID 158534354
1-(4-chloro-5-methoxy-1H-indol-2-yl)ethanone
CID 131380189
methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate
CID 135358278

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate?
The IUPAC name of methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate (CID 130408699) is methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate?
The canonical SMILES for methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate is COC(=O)c1cc2c(Cl)c(F)ccc2[nH]1.
What is the InChIKey of methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate?
The InChIKey is REXSHWFACLHVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO2/c1-15-10(14)8-4-5-7(13-8)3-2-6(12)9(5)11/h2-4,13H,1H3.
What are the key properties of methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate?
methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate has a molecular weight of 227.62 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate is sourced from PubChem (CID 130408699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).