4-[6-chloro-4-(1-iodo-1-phenylethyl)-2-pyridinyl]morpholine

C17H18ClIN2O — CID 170120523

IUPAC4-[6-chloro-4-(1-iodo-1-phenylethyl)-2-pyridinyl]morpholine
SMILESCC(I)(c1ccccc1)c1cc(Cl)nc(N2CCOCC2)c1
InChIInChI=1S/C17H18ClIN2O/c1-17(19,13-5-3-2-4-6-13)14-11-15(18)20-16(12-14)21-7-9-22-10-8-21/h2-6,11-12H,7-10H2,1H3
InChIKeyCRERLEDTWRHTOH-UHFFFAOYSA-N
MW428.70 g/mol
LogP4.27
Rot. Bonds3

About 4-[6-chloro-4-(1-iodo-1-phenylethyl)-2-pyridinyl]morpholine

4-[6-chloro-4-(1-iodo-1-phenylethyl)-2-pyridinyl]morpholine (PubChem CID 170120523) has the molecular formula C17H18ClIN2O and a molecular weight of 428.70 g/mol. Its IUPAC name is 4-[6-chloro-4-(1-iodo-1-phenylethyl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[6-chloro-4-(1-iodo-1-phenylethyl)-2-pyridinyl]morpholine
PubChem CID170120523
Molecular FormulaC17H18ClIN2O
Molecular Weight428.70 g/mol
Exact Mass428.02
IUPAC Name4-[6-chloro-4-(1-iodo-1-phenylethyl)-2-pyridinyl]morpholine
SMILESCC(I)(c1ccccc1)c1cc(Cl)nc(N2CCOCC2)c1
InChIInChI=1S/C17H18ClIN2O/c1-17(19,13-5-3-2-4-6-13)14-11-15(18)20-16(12-14)21-7-9-22-10-8-21/h2-6,11-12H,7-10H2,1H3
InChIKeyCRERLEDTWRHTOH-UHFFFAOYSA-N
XLogP4.27
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.70
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[6-chloro-4-(1-iodo-1-phenylethyl)-2-pyridinyl]morpholine 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

4-[6-chloro-4-(2-methylsulfonylpropan-2-yl)-2-pyridinyl]morpholine
CID 175051525
1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridin-3-ylpropan-2-amine
CID 87544751
2-chloro-6-(1,4-oxazepan-4-yl)pyridine-4-carboxylic acid
CID 55139980
4-[2-(bromomethyl)-6-chloropyrimidin-4-yl]morpholine
CID 59529076
azane;4-(6-methyl-2-pyridinyl)morpholine
CID 175085700
tert-butyl 4-[4-(2-chloro-6-morpholin-4-yl-4-pyridinyl)phenyl]piperazine-1-carboxylate
CID 86672044
1-(6-chloro-4-phenyl-2-pyridinyl)-4-ethenylpiperazine
CID 163525747
7,13-bis(6-chloropyridazin-3-yl)-1,4,10-trioxa-7,13-diazacyclopentadecane
CID 15123395
1-benzyl-3-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)thiourea
CID 100780982
4-(6-chloro-4-methylquinolin-2-yl)morpholine
CID 1477208
N-methyl-4-morpholin-4-yl-N,6-diphenylpyrimidin-2-amine
CID 112935415
N-methyl-1-(2-morpholin-4-ylquinolin-4-yl)methanamine
CID 62285578

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-4-(1-iodo-1-phenylethyl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[6-chloro-4-(1-iodo-1-phenylethyl)-2-pyridinyl]morpholine (CID 170120523) is 4-[6-chloro-4-(1-iodo-1-phenylethyl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[6-chloro-4-(1-iodo-1-phenylethyl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[6-chloro-4-(1-iodo-1-phenylethyl)-2-pyridinyl]morpholine is CC(I)(c1ccccc1)c1cc(Cl)nc(N2CCOCC2)c1.
What is the InChIKey of 4-[6-chloro-4-(1-iodo-1-phenylethyl)-2-pyridinyl]morpholine?
The InChIKey is CRERLEDTWRHTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClIN2O/c1-17(19,13-5-3-2-4-6-13)14-11-15(18)20-16(12-14)21-7-9-22-10-8-21/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 4-[6-chloro-4-(1-iodo-1-phenylethyl)-2-pyridinyl]morpholine?
4-[6-chloro-4-(1-iodo-1-phenylethyl)-2-pyridinyl]morpholine has a molecular weight of 428.70 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-4-(1-iodo-1-phenylethyl)-2-pyridinyl]morpholine is sourced from PubChem (CID 170120523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).