6-chloro-3-(4-chloro-3-fluorophenyl)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine

C18H15Cl2FN2O — CID 174207218

IUPAC6-chloro-3-(4-chloro-3-fluorophenyl)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine
SMILESFc1cc(-c2cn(CC3CCCO3)c3nc(Cl)ccc23)ccc1Cl
InChIInChI=1S/C18H15Cl2FN2O/c19-15-5-3-11(8-16(15)21)14-10-23(9-12-2-1-7-24-12)18-13(14)4-6-17(20)22-18/h3-6,8,10,12H,1-2,7,9H2
InChIKeyCUZNRLSBMJLGNY-UHFFFAOYSA-N
MW365.24 g/mol
LogP5.33
Rot. Bonds3

About 6-chloro-3-(4-chloro-3-fluorophenyl)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine

6-chloro-3-(4-chloro-3-fluorophenyl)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine (PubChem CID 174207218) has the molecular formula C18H15Cl2FN2O and a molecular weight of 365.24 g/mol. Its IUPAC name is 6-chloro-3-(4-chloro-3-fluorophenyl)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-chloro-3-(4-chloro-3-fluorophenyl)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine
PubChem CID174207218
Molecular FormulaC18H15Cl2FN2O
Molecular Weight365.24 g/mol
Exact Mass364.05
IUPAC Name6-chloro-3-(4-chloro-3-fluorophenyl)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine
SMILESFc1cc(-c2cn(CC3CCCO3)c3nc(Cl)ccc23)ccc1Cl
InChIInChI=1S/C18H15Cl2FN2O/c19-15-5-3-11(8-16(15)21)14-10-23(9-12-2-1-7-24-12)18-13(14)4-6-17(20)22-18/h3-6,8,10,12H,1-2,7,9H2
InChIKeyCUZNRLSBMJLGNY-UHFFFAOYSA-N
XLogP5.33
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.24
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-3-fluorophenyl)-9-(oxolan-2-ylmethyl)purin-6-amine
CID 155799237
3-(4-chloro-3-fluorophenyl)-1-(oxan-4-yl)pyrrolo[2,3-b]pyridine-6-carbonitrile
CID 163389269
3-(4-chloro-3-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide
CID 163389669
3-methyl-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine
CID 11843028
2-chloro-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidine
CID 166090821
1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65161657
6-fluoro-1-(oxolan-2-ylmethyl)indole
CID 116619846
2-[(4-chloro-3-fluorophenoxy)methyl]oxane
CID 82705903
3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazole
CID 41113403
4-(3-fluoro-4-methylphenyl)-1-(oxan-2-ylmethyl)pyrazole
CID 155276041
5-chloro-6-fluoro-1-[2-(oxolan-2-yl)ethyl]indole-2,3-dione
CID 79336364
2-chloro-1-[[(2S)-oxolan-2-yl]methyl]imidazole
CID 87111262

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-chloro-3-fluorophenyl)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 6-chloro-3-(4-chloro-3-fluorophenyl)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine (CID 174207218) is 6-chloro-3-(4-chloro-3-fluorophenyl)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-chloro-3-(4-chloro-3-fluorophenyl)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-chloro-3-(4-chloro-3-fluorophenyl)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine is Fc1cc(-c2cn(CC3CCCO3)c3nc(Cl)ccc23)ccc1Cl.
What is the InChIKey of 6-chloro-3-(4-chloro-3-fluorophenyl)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine?
The InChIKey is CUZNRLSBMJLGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2FN2O/c19-15-5-3-11(8-16(15)21)14-10-23(9-12-2-1-7-24-12)18-13(14)4-6-17(20)22-18/h3-6,8,10,12H,1-2,7,9H2.
What are the key properties of 6-chloro-3-(4-chloro-3-fluorophenyl)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine?
6-chloro-3-(4-chloro-3-fluorophenyl)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine has a molecular weight of 365.24 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-chloro-3-fluorophenyl)-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 174207218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).