2,4,5-trichloro-6-morpholin-4-ylpyridine-3-carbonitrile

C10H8Cl3N3O — CID 757413

IUPAC2,4,5-trichloro-6-morpholin-4-ylpyridine-3-carbonitrile
SMILESN#Cc1c(Cl)nc(N2CCOCC2)c(Cl)c1Cl
InChIInChI=1S/C10H8Cl3N3O/c11-7-6(5-14)9(13)15-10(8(7)12)16-1-3-17-4-2-16/h1-4H2
InChIKeyKEGKAFCYFIKHHZ-UHFFFAOYSA-N
MW292.55 g/mol
LogP2.75
Rot. Bonds1

About 2,4,5-trichloro-6-morpholin-4-ylpyridine-3-carbonitrile

2,4,5-trichloro-6-morpholin-4-ylpyridine-3-carbonitrile (PubChem CID 757413) has the molecular formula C10H8Cl3N3O and a molecular weight of 292.55 g/mol. Its IUPAC name is 2,4,5-trichloro-6-morpholin-4-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4,5-trichloro-6-morpholin-4-ylpyridine-3-carbonitrile
PubChem CID757413
Molecular FormulaC10H8Cl3N3O
Molecular Weight292.55 g/mol
Exact Mass290.97
IUPAC Name2,4,5-trichloro-6-morpholin-4-ylpyridine-3-carbonitrile
SMILESN#Cc1c(Cl)nc(N2CCOCC2)c(Cl)c1Cl
InChIInChI=1S/C10H8Cl3N3O/c11-7-6(5-14)9(13)15-10(8(7)12)16-1-3-17-4-2-16/h1-4H2
InChIKeyKEGKAFCYFIKHHZ-UHFFFAOYSA-N
XLogP2.75
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.55
LogP ≤ 52.75
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 2,4,5-trichloro-6-morpholin-4-ylpyridine-3-carbonitrile?
The IUPAC name of 2,4,5-trichloro-6-morpholin-4-ylpyridine-3-carbonitrile (CID 757413) is 2,4,5-trichloro-6-morpholin-4-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2,4,5-trichloro-6-morpholin-4-ylpyridine-3-carbonitrile?
The canonical SMILES for 2,4,5-trichloro-6-morpholin-4-ylpyridine-3-carbonitrile is N#Cc1c(Cl)nc(N2CCOCC2)c(Cl)c1Cl.
What is the InChIKey of 2,4,5-trichloro-6-morpholin-4-ylpyridine-3-carbonitrile?
The InChIKey is KEGKAFCYFIKHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl3N3O/c11-7-6(5-14)9(13)15-10(8(7)12)16-1-3-17-4-2-16/h1-4H2.
What are the key properties of 2,4,5-trichloro-6-morpholin-4-ylpyridine-3-carbonitrile?
2,4,5-trichloro-6-morpholin-4-ylpyridine-3-carbonitrile has a molecular weight of 292.55 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trichloro-6-morpholin-4-ylpyridine-3-carbonitrile is sourced from PubChem (CID 757413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).