(5-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanone

C16H9ClFNO — CID 114885039

IUPAC(5-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanone
SMILESO=C(c1cc(Cl)ccc1F)c1cccc2cnccc12
InChIInChI=1S/C16H9ClFNO/c17-11-4-5-15(18)14(8-11)16(20)13-3-1-2-10-9-19-7-6-12(10)13/h1-9H
InChIKeyCHFSYQRKYROFNN-UHFFFAOYSA-N
MW285.71 g/mol
LogP4.26
Rot. Bonds2

About (5-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanone

(5-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanone (PubChem CID 114885039) has the molecular formula C16H9ClFNO and a molecular weight of 285.71 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanone
PubChem CID114885039
Molecular FormulaC16H9ClFNO
Molecular Weight285.71 g/mol
Exact Mass285.04
IUPAC Name(5-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanone
SMILESO=C(c1cc(Cl)ccc1F)c1cccc2cnccc12
InChIInChI=1S/C16H9ClFNO/c17-11-4-5-15(18)14(8-11)16(20)13-3-1-2-10-9-19-7-6-12(10)13/h1-9H
InChIKeyCHFSYQRKYROFNN-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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Related Compounds

(2-fluoro-5-methylphenyl)-isoquinolin-5-ylmethanone
CID 114970988
(5-bromo-2-fluorophenyl)-isoquinolin-8-ylmethanone
CID 103134060
4-chloro-2-isoquinolin-5-ylbenzoic acid
CID 107989688
(4-amino-3,5-dichlorophenyl)-isoquinolin-5-ylmethanone
CID 116609974
(4-chloro-2-fluorophenyl)-isoquinolin-4-ylmethanone
CID 63939195
isoquinolin-5-yl-(2-methylsulfanylphenyl)methanone
CID 114970947
(2-bromo-4-chlorophenyl)-isoquinolin-8-ylmethanone
CID 107996871
(2,4-dibromophenyl)-isoquinolin-5-ylmethanone
CID 107944438
(2,5-dichlorophenyl)-naphthalen-1-ylmethanone
CID 43167267
5-chloro-2-(isoquinolin-5-ylamino)benzoic acid
CID 63537323
(2-bromo-3-methylphenyl)-isoquinolin-5-ylmethanone
CID 107984477
(4-aminophenyl)-isoquinolin-5-ylmethanone
CID 116548861

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanone (CID 114885039) is (5-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanone is O=C(c1cc(Cl)ccc1F)c1cccc2cnccc12.
What is the InChIKey of (5-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanone?
The InChIKey is CHFSYQRKYROFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFNO/c17-11-4-5-15(18)14(8-11)16(20)13-3-1-2-10-9-19-7-6-12(10)13/h1-9H.
What are the key properties of (5-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanone?
(5-chloro-2-fluorophenyl)-isoquinolin-5-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 (5-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanone is sourced from PubChem (CID 114885039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).