(2-chloro-6-fluorophenyl)-isoquinolin-1-ylmethanone

C16H9ClFNO — CID 135058495

IUPAC(2-chloro-6-fluorophenyl)-isoquinolin-1-ylmethanone
SMILESO=C(c1c(F)cccc1Cl)c1nccc2ccccc12
InChIInChI=1S/C16H9ClFNO/c17-12-6-3-7-13(18)14(12)16(20)15-11-5-2-1-4-10(11)8-9-19-15/h1-9H
InChIKeyAMHQFZFDLXMGIC-UHFFFAOYSA-N
MW285.71 g/mol
LogP4.26
Rot. Bonds2

About (2-chloro-6-fluorophenyl)-isoquinolin-1-ylmethanone

(2-chloro-6-fluorophenyl)-isoquinolin-1-ylmethanone (PubChem CID 135058495) has the molecular formula C16H9ClFNO and a molecular weight of 285.71 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-isoquinolin-1-ylmethanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-isoquinolin-1-ylmethanone
PubChem CID135058495
Molecular FormulaC16H9ClFNO
Molecular Weight285.71 g/mol
Exact Mass285.04
IUPAC Name(2-chloro-6-fluorophenyl)-isoquinolin-1-ylmethanone
SMILESO=C(c1c(F)cccc1Cl)c1nccc2ccccc12
InChIInChI=1S/C16H9ClFNO/c17-12-6-3-7-13(18)14(12)16(20)15-11-5-2-1-4-10(11)8-9-19-15/h1-9H
InChIKeyAMHQFZFDLXMGIC-UHFFFAOYSA-N
XLogP4.26
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.71
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-isoquinolin-1-ylmethanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-isoquinolin-1-ylmethanone (CID 135058495) is (2-chloro-6-fluorophenyl)-isoquinolin-1-ylmethanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-isoquinolin-1-ylmethanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-isoquinolin-1-ylmethanone is O=C(c1c(F)cccc1Cl)c1nccc2ccccc12.
What is the InChIKey of (2-chloro-6-fluorophenyl)-isoquinolin-1-ylmethanone?
The InChIKey is AMHQFZFDLXMGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFNO/c17-12-6-3-7-13(18)14(12)16(20)15-11-5-2-1-4-10(11)8-9-19-15/h1-9H.
What are the key properties of (2-chloro-6-fluorophenyl)-isoquinolin-1-ylmethanone?
(2-chloro-6-fluorophenyl)-isoquinolin-1-ylmethanone has a molecular weight of 285.71 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-isoquinolin-1-ylmethanone is sourced from PubChem (CID 135058495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).