methyl 6-chloro-7-fluoro-4-formyl-1H-indole-2-carboxylate

C11H7ClFNO3 — CID 176811321

IUPACmethyl 6-chloro-7-fluoro-4-formyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(C=O)cc(Cl)c(F)c2[nH]1
InChIInChI=1S/C11H7ClFNO3/c1-17-11(16)8-3-6-5(4-15)2-7(12)9(13)10(6)14-8/h2-4,14H,1H3
InChIKeyRSTIOLSCIBHNPO-UHFFFAOYSA-N
MW255.63 g/mol
LogP2.56
Rot. Bonds2

About methyl 6-chloro-7-fluoro-4-formyl-1H-indole-2-carboxylate

methyl 6-chloro-7-fluoro-4-formyl-1H-indole-2-carboxylate (PubChem CID 176811321) has the molecular formula C11H7ClFNO3 and a molecular weight of 255.63 g/mol. Its IUPAC name is methyl 6-chloro-7-fluoro-4-formyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-7-fluoro-4-formyl-1H-indole-2-carboxylate
PubChem CID176811321
Molecular FormulaC11H7ClFNO3
Molecular Weight255.63 g/mol
Exact Mass255.01
IUPAC Namemethyl 6-chloro-7-fluoro-4-formyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(C=O)cc(Cl)c(F)c2[nH]1
InChIInChI=1S/C11H7ClFNO3/c1-17-11(16)8-3-6-5(4-15)2-7(12)9(13)10(6)14-8/h2-4,14H,1H3
InChIKeyRSTIOLSCIBHNPO-UHFFFAOYSA-N
XLogP2.56
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.63
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-fluoro-2,4-dimethoxybenzaldehyde
CID 84684172
methyl 7-ethenyl-4,6-difluoro-1H-indole-2-carboxylate
CID 169189296
methyl 6-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate
CID 155973516
methyl 5-chloro-8-fluoro-4-oxo-1H-quinoline-2-carboxylate
CID 63376397
methyl 8-chloro-5-fluoro-1-oxo-2H-isoquinoline-3-carboxylate
CID 114517685
6-chloro-7-fluoro-4-methoxy-1H-indole-2-carbaldehyde
CID 135333306
methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate
CID 130408699
5-chloro-3-fluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84778086
methyl 5,6-difluoro-1-oxo-2H-isoquinoline-3-carboxylate
CID 53429425
methyl 3-chloro-5-fluoro-4-formylbenzoate
CID 170315279
methyl 4-fluoro-5-methyl-1H-pyrrole-2-carboxylate
CID 176600119
methyl 7-fluoro-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylate
CID 141490537

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-7-fluoro-4-formyl-1H-indole-2-carboxylate?
The IUPAC name of methyl 6-chloro-7-fluoro-4-formyl-1H-indole-2-carboxylate (CID 176811321) is methyl 6-chloro-7-fluoro-4-formyl-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 6-chloro-7-fluoro-4-formyl-1H-indole-2-carboxylate?
The canonical SMILES for methyl 6-chloro-7-fluoro-4-formyl-1H-indole-2-carboxylate is COC(=O)c1cc2c(C=O)cc(Cl)c(F)c2[nH]1.
What is the InChIKey of methyl 6-chloro-7-fluoro-4-formyl-1H-indole-2-carboxylate?
The InChIKey is RSTIOLSCIBHNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO3/c1-17-11(16)8-3-6-5(4-15)2-7(12)9(13)10(6)14-8/h2-4,14H,1H3.
What are the key properties of methyl 6-chloro-7-fluoro-4-formyl-1H-indole-2-carboxylate?
methyl 6-chloro-7-fluoro-4-formyl-1H-indole-2-carboxylate has a molecular weight of 255.63 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-7-fluoro-4-formyl-1H-indole-2-carboxylate is sourced from PubChem (CID 176811321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).