5-chloro-7-fluoro-1-methylindole-2-carbaldehyde

C10H7ClFNO — CID 105465519

IUPAC5-chloro-7-fluoro-1-methylindole-2-carbaldehyde
SMILESCn1c(C=O)cc2cc(Cl)cc(F)c21
InChIInChI=1S/C10H7ClFNO/c1-13-8(5-14)3-6-2-7(11)4-9(12)10(6)13/h2-5H,1H3
InChIKeyRLVJITDLKNLMHO-UHFFFAOYSA-N
MW211.62 g/mol
LogP2.78
Rot. Bonds1

About 5-chloro-7-fluoro-1-methylindole-2-carbaldehyde

5-chloro-7-fluoro-1-methylindole-2-carbaldehyde (PubChem CID 105465519) has the molecular formula C10H7ClFNO and a molecular weight of 211.62 g/mol. Its IUPAC name is 5-chloro-7-fluoro-1-methylindole-2-carbaldehyde.

Molecular Properties

Compound Name5-chloro-7-fluoro-1-methylindole-2-carbaldehyde
PubChem CID105465519
Molecular FormulaC10H7ClFNO
Molecular Weight211.62 g/mol
Exact Mass211.02
IUPAC Name5-chloro-7-fluoro-1-methylindole-2-carbaldehyde
SMILESCn1c(C=O)cc2cc(Cl)cc(F)c21
InChIInChI=1S/C10H7ClFNO/c1-13-8(5-14)3-6-2-7(11)4-9(12)10(6)13/h2-5H,1H3
InChIKeyRLVJITDLKNLMHO-UHFFFAOYSA-N
XLogP2.78
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.62
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-7-fluoro-1-methylindole-2-carbaldehyde?
The IUPAC name of 5-chloro-7-fluoro-1-methylindole-2-carbaldehyde (CID 105465519) is 5-chloro-7-fluoro-1-methylindole-2-carbaldehyde.
What is the SMILES notation for 5-chloro-7-fluoro-1-methylindole-2-carbaldehyde?
The canonical SMILES for 5-chloro-7-fluoro-1-methylindole-2-carbaldehyde is Cn1c(C=O)cc2cc(Cl)cc(F)c21.
What is the InChIKey of 5-chloro-7-fluoro-1-methylindole-2-carbaldehyde?
The InChIKey is RLVJITDLKNLMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO/c1-13-8(5-14)3-6-2-7(11)4-9(12)10(6)13/h2-5H,1H3.
What are the key properties of 5-chloro-7-fluoro-1-methylindole-2-carbaldehyde?
5-chloro-7-fluoro-1-methylindole-2-carbaldehyde has a molecular weight of 211.62 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-fluoro-1-methylindole-2-carbaldehyde is sourced from PubChem (CID 105465519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).