3-[(2-chloro-4-pyridinyl)oxy]-6,8-difluoroquinoline

C14H7ClF2N2O — CID 171537389

IUPAC3-[(2-chloro-4-pyridinyl)oxy]-6,8-difluoroquinoline
SMILESFc1cc(F)c2ncc(Oc3ccnc(Cl)c3)cc2c1
InChIInChI=1S/C14H7ClF2N2O/c15-13-6-10(1-2-18-13)20-11-4-8-3-9(16)5-12(17)14(8)19-7-11/h1-7H
InChIKeyNSFKEPAIBYPFKM-UHFFFAOYSA-N
MW292.67 g/mol
LogP4.35
Rot. Bonds2

About 3-[(2-chloro-4-pyridinyl)oxy]-6,8-difluoroquinoline

3-[(2-chloro-4-pyridinyl)oxy]-6,8-difluoroquinoline (PubChem CID 171537389) has the molecular formula C14H7ClF2N2O and a molecular weight of 292.67 g/mol. Its IUPAC name is 3-[(2-chloro-4-pyridinyl)oxy]-6,8-difluoroquinoline.

Molecular Properties

Compound Name3-[(2-chloro-4-pyridinyl)oxy]-6,8-difluoroquinoline
PubChem CID171537389
Molecular FormulaC14H7ClF2N2O
Molecular Weight292.67 g/mol
Exact Mass292.02
IUPAC Name3-[(2-chloro-4-pyridinyl)oxy]-6,8-difluoroquinoline
SMILESFc1cc(F)c2ncc(Oc3ccnc(Cl)c3)cc2c1
InChIInChI=1S/C14H7ClF2N2O/c15-13-6-10(1-2-18-13)20-11-4-8-3-9(16)5-12(17)14(8)19-7-11/h1-7H
InChIKeyNSFKEPAIBYPFKM-UHFFFAOYSA-N
XLogP4.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.67
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(2-chloro-4-pyridinyl)oxy]-6,8-difluoroquinoline 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-[(2-chloro-4-pyridinyl)oxy]-3,5-difluoroaniline
CID 86641686
4-(5-bromo-2,3-difluorophenoxy)-2-chloropyridine
CID 107098123
1-[5-[(2-chloro-4-pyridinyl)oxy]-2-fluorophenyl]ethanone
CID 171635683
4-(4-tert-butylphenoxy)-2-chloropyridine
CID 63777784
7-[(2-chloro-4-pyridinyl)oxy]quinoline
CID 107313588
2-chloro-4-(5-chloro-2-fluoro-4-nitrophenoxy)pyridine
CID 118025233
2-chloro-4-[[5-(2,2-difluoropropyl)-3-pyridinyl]oxy]pyridine
CID 171537887
CID 176696723
CID 176696723
8-[(2-chloro-4-pyridinyl)oxy]quinoline
CID 63777963
2-chloro-4-(3-chloro-5-methoxyphenoxy)pyridine
CID 71512689
2-[(2-chloro-4-pyridinyl)oxy]ethanamine
CID 84654514
6,8-difluoroquinoline-3-carboxylic acid
CID 22452302

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-pyridinyl)oxy]-6,8-difluoroquinoline?
The IUPAC name of 3-[(2-chloro-4-pyridinyl)oxy]-6,8-difluoroquinoline (CID 171537389) is 3-[(2-chloro-4-pyridinyl)oxy]-6,8-difluoroquinoline.
What is the SMILES notation for 3-[(2-chloro-4-pyridinyl)oxy]-6,8-difluoroquinoline?
The canonical SMILES for 3-[(2-chloro-4-pyridinyl)oxy]-6,8-difluoroquinoline is Fc1cc(F)c2ncc(Oc3ccnc(Cl)c3)cc2c1.
What is the InChIKey of 3-[(2-chloro-4-pyridinyl)oxy]-6,8-difluoroquinoline?
The InChIKey is NSFKEPAIBYPFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF2N2O/c15-13-6-10(1-2-18-13)20-11-4-8-3-9(16)5-12(17)14(8)19-7-11/h1-7H.
What are the key properties of 3-[(2-chloro-4-pyridinyl)oxy]-6,8-difluoroquinoline?
3-[(2-chloro-4-pyridinyl)oxy]-6,8-difluoroquinoline has a molecular weight of 292.67 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-pyridinyl)oxy]-6,8-difluoroquinoline is sourced from PubChem (CID 171537389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).