5-chloro-2-cyclopropyl-7-fluoro-1H-indole-3-carbaldehyde

C12H9ClFNO — CID 123644436

IUPAC5-chloro-2-cyclopropyl-7-fluoro-1H-indole-3-carbaldehyde
SMILESO=Cc1c(C2CC2)[nH]c2c(F)cc(Cl)cc12
InChIInChI=1S/C12H9ClFNO/c13-7-3-8-9(5-16)11(6-1-2-6)15-12(8)10(14)4-7/h3-6,15H,1-2H2
InChIKeyRVJXOFBTPKMDRD-UHFFFAOYSA-N
MW237.66 g/mol
LogP3.65
Rot. Bonds2

About 5-chloro-2-cyclopropyl-7-fluoro-1H-indole-3-carbaldehyde

5-chloro-2-cyclopropyl-7-fluoro-1H-indole-3-carbaldehyde (PubChem CID 123644436) has the molecular formula C12H9ClFNO and a molecular weight of 237.66 g/mol. Its IUPAC name is 5-chloro-2-cyclopropyl-7-fluoro-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-2-cyclopropyl-7-fluoro-1H-indole-3-carbaldehyde
PubChem CID123644436
Molecular FormulaC12H9ClFNO
Molecular Weight237.66 g/mol
Exact Mass237.04
IUPAC Name5-chloro-2-cyclopropyl-7-fluoro-1H-indole-3-carbaldehyde
SMILESO=Cc1c(C2CC2)[nH]c2c(F)cc(Cl)cc12
InChIInChI=1S/C12H9ClFNO/c13-7-3-8-9(5-16)11(6-1-2-6)15-12(8)10(14)4-7/h3-6,15H,1-2H2
InChIKeyRVJXOFBTPKMDRD-UHFFFAOYSA-N
XLogP3.65
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.66
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyclopropyl-7-fluoro-1H-indole-3-carbaldehyde?
The IUPAC name of 5-chloro-2-cyclopropyl-7-fluoro-1H-indole-3-carbaldehyde (CID 123644436) is 5-chloro-2-cyclopropyl-7-fluoro-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5-chloro-2-cyclopropyl-7-fluoro-1H-indole-3-carbaldehyde?
The canonical SMILES for 5-chloro-2-cyclopropyl-7-fluoro-1H-indole-3-carbaldehyde is O=Cc1c(C2CC2)[nH]c2c(F)cc(Cl)cc12.
What is the InChIKey of 5-chloro-2-cyclopropyl-7-fluoro-1H-indole-3-carbaldehyde?
The InChIKey is RVJXOFBTPKMDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO/c13-7-3-8-9(5-16)11(6-1-2-6)15-12(8)10(14)4-7/h3-6,15H,1-2H2.
What are the key properties of 5-chloro-2-cyclopropyl-7-fluoro-1H-indole-3-carbaldehyde?
5-chloro-2-cyclopropyl-7-fluoro-1H-indole-3-carbaldehyde has a molecular weight of 237.66 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyclopropyl-7-fluoro-1H-indole-3-carbaldehyde is sourced from PubChem (CID 123644436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).