2,4,5-trichloro-6-morpholin-4-ylpyridin-1-ium-3-carbonitrile

C10H9Cl3N3O+ — CID 6938265

IUPAC2,4,5-trichloro-6-morpholin-4-ylpyridin-1-ium-3-carbonitrile
SMILESN#Cc1c(Cl)[nH+]c(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/p+1
InChIKeyKEGKAFCYFIKHHZ-UHFFFAOYSA-O
MW293.56 g/mol
LogP2.17
Rot. Bonds1

About 2,4,5-trichloro-6-morpholin-4-ylpyridin-1-ium-3-carbonitrile

2,4,5-trichloro-6-morpholin-4-ylpyridin-1-ium-3-carbonitrile (PubChem CID 6938265) has the molecular formula C10H9Cl3N3O+ and a molecular weight of 293.56 g/mol. Its IUPAC name is 2,4,5-trichloro-6-morpholin-4-ylpyridin-1-ium-3-carbonitrile.

Molecular Properties

Compound Name2,4,5-trichloro-6-morpholin-4-ylpyridin-1-ium-3-carbonitrile
PubChem CID6938265
Molecular FormulaC10H9Cl3N3O+
Molecular Weight293.56 g/mol
Exact Mass291.98
IUPAC Name2,4,5-trichloro-6-morpholin-4-ylpyridin-1-ium-3-carbonitrile
SMILESN#Cc1c(Cl)[nH+]c(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/p+1
InChIKeyKEGKAFCYFIKHHZ-UHFFFAOYSA-O
XLogP2.17
TPSA50.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.56
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4,5-trichloro-6-morpholin-4-ylpyridin-1-ium-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-morpholin-4-yl-1-propyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile
CID 7013262
3-chloro-2-methyl-6-morpholin-4-ylbenzonitrile
CID 132520506
1-(2-methylpropyl)-3-morpholin-4-yl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-4-carbonitrile
CID 6957127
4,5-dihydroxy-2-morpholin-4-ylbenzene-1,3-dicarbonitrile
CID 90015410
4,13-dimorpholin-4-yl-5,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene-3,12-dicarbonitrile
CID 21082935
6-ethylsulfanyl-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile
CID 6942138
2-amino-4-[(1S)-1-cyano-2-phenylethyl]-6-morpholin-4-ylpyridin-1-ium-3,5-dicarbonitrile
CID 7129524
4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)benzonitrile
CID 11068507
3-chloro-2-ethyl-1-morpholin-4-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 14221184
4-chloro-5-formyl-2-[(4-morpholin-4-ylphenyl)diazenyl]thiophene-3-carbonitrile
CID 122385470
4-chloro-6-(4-morpholin-4-ylanilino)pyrimidine-5-carbonitrile
CID 87644759
2,4,5-trichloro-6-(3-morpholin-4-ylpropylamino)pyridine-3-carbonitrile
CID 36662494

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trichloro-6-morpholin-4-ylpyridin-1-ium-3-carbonitrile?
The IUPAC name of 2,4,5-trichloro-6-morpholin-4-ylpyridin-1-ium-3-carbonitrile (CID 6938265) is 2,4,5-trichloro-6-morpholin-4-ylpyridin-1-ium-3-carbonitrile.
What is the SMILES notation for 2,4,5-trichloro-6-morpholin-4-ylpyridin-1-ium-3-carbonitrile?
The canonical SMILES for 2,4,5-trichloro-6-morpholin-4-ylpyridin-1-ium-3-carbonitrile is N#Cc1c(Cl)[nH+]c(N2CCOCC2)c(Cl)c1Cl.
What is the InChIKey of 2,4,5-trichloro-6-morpholin-4-ylpyridin-1-ium-3-carbonitrile?
The InChIKey is KEGKAFCYFIKHHZ-UHFFFAOYSA-O. 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/p+1.
What are the key properties of 2,4,5-trichloro-6-morpholin-4-ylpyridin-1-ium-3-carbonitrile?
2,4,5-trichloro-6-morpholin-4-ylpyridin-1-ium-3-carbonitrile has a molecular weight of 293.56 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trichloro-6-morpholin-4-ylpyridin-1-ium-3-carbonitrile is sourced from PubChem (CID 6938265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).