4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]pyridine-3-carbonitrile

C19H12ClFN4O — CID 163287327

IUPAC4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cnccc1N1CCOc2cnc(-c3cc(Cl)ccc3F)cc21
InChIInChI=1S/C19H12ClFN4O/c20-13-1-2-15(21)14(7-13)16-8-18-19(11-24-16)26-6-5-25(18)17-3-4-23-10-12(17)9-22/h1-4,7-8,10-11H,5-6H2
InChIKeyLWHHGSMIYGNNAF-UHFFFAOYSA-N
MW366.78 g/mol
LogP4.34
Rot. Bonds2

About 4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]pyridine-3-carbonitrile

4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]pyridine-3-carbonitrile (PubChem CID 163287327) has the molecular formula C19H12ClFN4O and a molecular weight of 366.78 g/mol. Its IUPAC name is 4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]pyridine-3-carbonitrile
PubChem CID163287327
Molecular FormulaC19H12ClFN4O
Molecular Weight366.78 g/mol
Exact Mass366.07
IUPAC Name4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cnccc1N1CCOc2cnc(-c3cc(Cl)ccc3F)cc21
InChIInChI=1S/C19H12ClFN4O/c20-13-1-2-15(21)14(7-13)16-8-18-19(11-24-16)26-6-5-25(18)17-3-4-23-10-12(17)9-22/h1-4,7-8,10-11H,5-6H2
InChIKeyLWHHGSMIYGNNAF-UHFFFAOYSA-N
XLogP4.34
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.78
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]pyridine-3-carbonitrile (CID 163287327) is 4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]pyridine-3-carbonitrile is N#Cc1cnccc1N1CCOc2cnc(-c3cc(Cl)ccc3F)cc21.
What is the InChIKey of 4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is LWHHGSMIYGNNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4O/c20-13-1-2-15(21)14(7-13)16-8-18-19(11-24-16)26-6-5-25(18)17-3-4-23-10-12(17)9-22/h1-4,7-8,10-11H,5-6H2.
What are the key properties of 4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]pyridine-3-carbonitrile?
4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 366.78 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 163287327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).