2-(2-chloro-5-iodo-3-pyridinyl)-5,7-difluoro-1H-quinolin-4-one

C14H6ClF2IN2O — CID 167456017

IUPAC2-(2-chloro-5-iodo-3-pyridinyl)-5,7-difluoro-1H-quinolin-4-one
SMILESO=c1cc(-c2cc(I)cnc2Cl)[nH]c2cc(F)cc(F)c12
InChIInChI=1S/C14H6ClF2IN2O/c15-14-8(3-7(18)5-19-14)10-4-12(21)13-9(17)1-6(16)2-11(13)20-10/h1-5H,(H,20,21)
InChIKeyAGDVWWNIHDZDTP-UHFFFAOYSA-N
MW418.57 g/mol
LogP4.13
Rot. Bonds1

About 2-(2-chloro-5-iodo-3-pyridinyl)-5,7-difluoro-1H-quinolin-4-one

2-(2-chloro-5-iodo-3-pyridinyl)-5,7-difluoro-1H-quinolin-4-one (PubChem CID 167456017) has the molecular formula C14H6ClF2IN2O and a molecular weight of 418.57 g/mol. Its IUPAC name is 2-(2-chloro-5-iodo-3-pyridinyl)-5,7-difluoro-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(2-chloro-5-iodo-3-pyridinyl)-5,7-difluoro-1H-quinolin-4-one
PubChem CID167456017
Molecular FormulaC14H6ClF2IN2O
Molecular Weight418.57 g/mol
Exact Mass417.92
IUPAC Name2-(2-chloro-5-iodo-3-pyridinyl)-5,7-difluoro-1H-quinolin-4-one
SMILESO=c1cc(-c2cc(I)cnc2Cl)[nH]c2cc(F)cc(F)c12
InChIInChI=1S/C14H6ClF2IN2O/c15-14-8(3-7(18)5-19-14)10-4-12(21)13-9(17)1-6(16)2-11(13)20-10/h1-5H,(H,20,21)
InChIKeyAGDVWWNIHDZDTP-UHFFFAOYSA-N
XLogP4.13
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.57
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-4-(5,7-difluoro-4-oxo-1H-quinolin-2-yl)pyridine-2-carbonitrile
CID 167456031
4-(7-chloro-5-fluoro-4-oxo-1H-quinolin-2-yl)-5-methylpyridine-2-carbonitrile
CID 177106956
5-chloro-7-fluoro-2-methyl-1H-quinolin-4-one
CID 107370193
2-(4-chlorophenyl)-5,7-bis(4-fluorophenyl)-1H-quinolin-4-one
CID 166442732
3-(5,7-difluoro-4-oxo-1H-quinolin-2-yl)-4-(2-methylpropylsulfonyl)benzonitrile
CID 169299387
5,7-difluoro-1H-quinazoline-2,4-dione
CID 19604393
3-(7-chloro-5-fluoro-4-oxo-1H-quinolin-2-yl)-4-methylsulfanylbenzonitrile
CID 169299375
2-chloro-5-iodo-3-[4-(trifluoromethyl)phenyl]pyridine
CID 119000682
2-chloro-5-iodo-3-(2,3,5-trichlorophenyl)pyridine
CID 119006573
4-chloro-3-(5,6,7-trifluoro-4-oxo-1H-quinolin-2-yl)benzonitrile
CID 164916772
5-chloro-7-fluoro-3-iodo-1H-quinolin-4-one
CID 107370154
2-(4-tert-butyl-2,5-dimethylphenyl)-5-fluoro-7-methoxy-1H-quinolin-4-one
CID 169256261

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-iodo-3-pyridinyl)-5,7-difluoro-1H-quinolin-4-one?
The IUPAC name of 2-(2-chloro-5-iodo-3-pyridinyl)-5,7-difluoro-1H-quinolin-4-one (CID 167456017) is 2-(2-chloro-5-iodo-3-pyridinyl)-5,7-difluoro-1H-quinolin-4-one.
What is the SMILES notation for 2-(2-chloro-5-iodo-3-pyridinyl)-5,7-difluoro-1H-quinolin-4-one?
The canonical SMILES for 2-(2-chloro-5-iodo-3-pyridinyl)-5,7-difluoro-1H-quinolin-4-one is O=c1cc(-c2cc(I)cnc2Cl)[nH]c2cc(F)cc(F)c12.
What is the InChIKey of 2-(2-chloro-5-iodo-3-pyridinyl)-5,7-difluoro-1H-quinolin-4-one?
The InChIKey is AGDVWWNIHDZDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6ClF2IN2O/c15-14-8(3-7(18)5-19-14)10-4-12(21)13-9(17)1-6(16)2-11(13)20-10/h1-5H,(H,20,21).
What are the key properties of 2-(2-chloro-5-iodo-3-pyridinyl)-5,7-difluoro-1H-quinolin-4-one?
2-(2-chloro-5-iodo-3-pyridinyl)-5,7-difluoro-1H-quinolin-4-one has a molecular weight of 418.57 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-iodo-3-pyridinyl)-5,7-difluoro-1H-quinolin-4-one is sourced from PubChem (CID 167456017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).