7-chloro-6-fluoro-1,2-dihydroisoquinoline-1-carbaldehyde

C10H7ClFNO — CID 174673204

IUPAC7-chloro-6-fluoro-1,2-dihydroisoquinoline-1-carbaldehyde
SMILESO=CC1NC=Cc2cc(F)c(Cl)cc21
InChIInChI=1S/C10H7ClFNO/c11-8-4-7-6(3-9(8)12)1-2-13-10(7)5-14/h1-5,10,13H
InChIKeyVTDCAZKEIDFXRC-UHFFFAOYSA-N
MW211.62 g/mol
LogP2.29
Rot. Bonds1

About 7-chloro-6-fluoro-1,2-dihydroisoquinoline-1-carbaldehyde

7-chloro-6-fluoro-1,2-dihydroisoquinoline-1-carbaldehyde (PubChem CID 174673204) has the molecular formula C10H7ClFNO and a molecular weight of 211.62 g/mol. Its IUPAC name is 7-chloro-6-fluoro-1,2-dihydroisoquinoline-1-carbaldehyde.

Molecular Properties

Compound Name7-chloro-6-fluoro-1,2-dihydroisoquinoline-1-carbaldehyde
PubChem CID174673204
Molecular FormulaC10H7ClFNO
Molecular Weight211.62 g/mol
Exact Mass211.02
IUPAC Name7-chloro-6-fluoro-1,2-dihydroisoquinoline-1-carbaldehyde
SMILESO=CC1NC=Cc2cc(F)c(Cl)cc21
InChIInChI=1S/C10H7ClFNO/c11-8-4-7-6(3-9(8)12)1-2-13-10(7)5-14/h1-5,10,13H
InChIKeyVTDCAZKEIDFXRC-UHFFFAOYSA-N
XLogP2.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.62
LogP ≤ 52.29
H-Bond Donors ≤ 51
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 7-chloro-6-fluoro-1,2-dihydroisoquinoline-1-carbaldehyde?
The IUPAC name of 7-chloro-6-fluoro-1,2-dihydroisoquinoline-1-carbaldehyde (CID 174673204) is 7-chloro-6-fluoro-1,2-dihydroisoquinoline-1-carbaldehyde.
What is the SMILES notation for 7-chloro-6-fluoro-1,2-dihydroisoquinoline-1-carbaldehyde?
The canonical SMILES for 7-chloro-6-fluoro-1,2-dihydroisoquinoline-1-carbaldehyde is O=CC1NC=Cc2cc(F)c(Cl)cc21.
What is the InChIKey of 7-chloro-6-fluoro-1,2-dihydroisoquinoline-1-carbaldehyde?
The InChIKey is VTDCAZKEIDFXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO/c11-8-4-7-6(3-9(8)12)1-2-13-10(7)5-14/h1-5,10,13H.
What are the key properties of 7-chloro-6-fluoro-1,2-dihydroisoquinoline-1-carbaldehyde?
7-chloro-6-fluoro-1,2-dihydroisoquinoline-1-carbaldehyde has a molecular weight of 211.62 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-1,2-dihydroisoquinoline-1-carbaldehyde is sourced from PubChem (CID 174673204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).