2-chloro-4-(2-fluorophenyl)-6-morpholin-4-ylpyridine-3-carbonitrile

C16H13ClFN3O — CID 13138572

IUPAC2-chloro-4-(2-fluorophenyl)-6-morpholin-4-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2F)cc(N2CCOCC2)nc1Cl
InChIInChI=1S/C16H13ClFN3O/c17-16-13(10-19)12(11-3-1-2-4-14(11)18)9-15(20-16)21-5-7-22-8-6-21/h1-4,9H,5-8H2
InChIKeyQYBVNSPKRUGHII-UHFFFAOYSA-N
MW317.75 g/mol
LogP3.25
Rot. Bonds2

About 2-chloro-4-(2-fluorophenyl)-6-morpholin-4-ylpyridine-3-carbonitrile

2-chloro-4-(2-fluorophenyl)-6-morpholin-4-ylpyridine-3-carbonitrile (PubChem CID 13138572) has the molecular formula C16H13ClFN3O and a molecular weight of 317.75 g/mol. Its IUPAC name is 2-chloro-4-(2-fluorophenyl)-6-morpholin-4-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-4-(2-fluorophenyl)-6-morpholin-4-ylpyridine-3-carbonitrile
PubChem CID13138572
Molecular FormulaC16H13ClFN3O
Molecular Weight317.75 g/mol
Exact Mass317.07
IUPAC Name2-chloro-4-(2-fluorophenyl)-6-morpholin-4-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2F)cc(N2CCOCC2)nc1Cl
InChIInChI=1S/C16H13ClFN3O/c17-16-13(10-19)12(11-3-1-2-4-14(11)18)9-15(20-16)21-5-7-22-8-6-21/h1-4,9H,5-8H2
InChIKeyQYBVNSPKRUGHII-UHFFFAOYSA-N
XLogP3.25
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.75
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-fluorophenyl)-6-morpholin-4-ylpyridine-3-carbonitrile?
The IUPAC name of 2-chloro-4-(2-fluorophenyl)-6-morpholin-4-ylpyridine-3-carbonitrile (CID 13138572) is 2-chloro-4-(2-fluorophenyl)-6-morpholin-4-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-4-(2-fluorophenyl)-6-morpholin-4-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-4-(2-fluorophenyl)-6-morpholin-4-ylpyridine-3-carbonitrile is N#Cc1c(-c2ccccc2F)cc(N2CCOCC2)nc1Cl.
What is the InChIKey of 2-chloro-4-(2-fluorophenyl)-6-morpholin-4-ylpyridine-3-carbonitrile?
The InChIKey is QYBVNSPKRUGHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O/c17-16-13(10-19)12(11-3-1-2-4-14(11)18)9-15(20-16)21-5-7-22-8-6-21/h1-4,9H,5-8H2.
What are the key properties of 2-chloro-4-(2-fluorophenyl)-6-morpholin-4-ylpyridine-3-carbonitrile?
2-chloro-4-(2-fluorophenyl)-6-morpholin-4-ylpyridine-3-carbonitrile has a molecular weight of 317.75 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-fluorophenyl)-6-morpholin-4-ylpyridine-3-carbonitrile is sourced from PubChem (CID 13138572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).