2-chloro-4-[4-(difluoromethyl)-5-propoxy-2-pyridinyl]-3-fluoropyridine

C14H12ClF3N2O — CID 123703407

IUPAC2-chloro-4-[4-(difluoromethyl)-5-propoxy-2-pyridinyl]-3-fluoropyridine
SMILESCCCOc1cnc(-c2ccnc(Cl)c2F)cc1C(F)F
InChIInChI=1S/C14H12ClF3N2O/c1-2-5-21-11-7-20-10(6-9(11)14(17)18)8-3-4-19-13(15)12(8)16/h3-4,6-7,14H,2,5H2,1H3
InChIKeyBHEUYNOPLOPJBS-UHFFFAOYSA-N
MW316.71 g/mol
LogP4.66
Rot. Bonds5

About 2-chloro-4-[4-(difluoromethyl)-5-propoxy-2-pyridinyl]-3-fluoropyridine

2-chloro-4-[4-(difluoromethyl)-5-propoxy-2-pyridinyl]-3-fluoropyridine (PubChem CID 123703407) has the molecular formula C14H12ClF3N2O and a molecular weight of 316.71 g/mol. Its IUPAC name is 2-chloro-4-[4-(difluoromethyl)-5-propoxy-2-pyridinyl]-3-fluoropyridine.

Molecular Properties

Compound Name2-chloro-4-[4-(difluoromethyl)-5-propoxy-2-pyridinyl]-3-fluoropyridine
PubChem CID123703407
Molecular FormulaC14H12ClF3N2O
Molecular Weight316.71 g/mol
Exact Mass316.06
IUPAC Name2-chloro-4-[4-(difluoromethyl)-5-propoxy-2-pyridinyl]-3-fluoropyridine
SMILESCCCOc1cnc(-c2ccnc(Cl)c2F)cc1C(F)F
InChIInChI=1S/C14H12ClF3N2O/c1-2-5-21-11-7-20-10(6-9(11)14(17)18)8-3-4-19-13(15)12(8)16/h3-4,6-7,14H,2,5H2,1H3
InChIKeyBHEUYNOPLOPJBS-UHFFFAOYSA-N
XLogP4.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.71
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-4-[4-(difluoromethyl)-5-propoxy-2-pyridinyl]-3-fluoropyridine 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

(2R)-1-[[6-(2-chloro-3-fluoro-4-pyridinyl)-4-(difluoromethyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118429442
(4S)-5-[[6-(2-chloro-5-fluoro-4-pyridinyl)-4-(difluoromethyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 135282879
2-chloro-3-fluoro-4-propan-2-ylpyridine
CID 59849657
2-chloro-3-fluoro-4-propan-2-yloxypyridine
CID 91620513
1-chloro-2-fluoro-3-propoxybenzene
CID 125116301
4-chloro-3-propoxypyridine
CID 91927090
2-chloro-3-nitro-4-propoxypyridine
CID 160997420
ethyl 2-[2-chloro-4-(difluoromethyl)-3-pyridinyl]acetate
CID 133088379
1-(2-chloro-3-fluoro-4-pyridinyl)ethanol
CID 155293845
2-chloro-4-(2,3-difluorophenyl)-3-fluoropyridine
CID 119022782
2-chloro-3-fluoro-4-(2-methoxyethyl)pyridine
CID 171815314
3-propoxy-4-(triazin-4-yl)phenol
CID 175356712

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-(difluoromethyl)-5-propoxy-2-pyridinyl]-3-fluoropyridine?
The IUPAC name of 2-chloro-4-[4-(difluoromethyl)-5-propoxy-2-pyridinyl]-3-fluoropyridine (CID 123703407) is 2-chloro-4-[4-(difluoromethyl)-5-propoxy-2-pyridinyl]-3-fluoropyridine.
What is the SMILES notation for 2-chloro-4-[4-(difluoromethyl)-5-propoxy-2-pyridinyl]-3-fluoropyridine?
The canonical SMILES for 2-chloro-4-[4-(difluoromethyl)-5-propoxy-2-pyridinyl]-3-fluoropyridine is CCCOc1cnc(-c2ccnc(Cl)c2F)cc1C(F)F.
What is the InChIKey of 2-chloro-4-[4-(difluoromethyl)-5-propoxy-2-pyridinyl]-3-fluoropyridine?
The InChIKey is BHEUYNOPLOPJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O/c1-2-5-21-11-7-20-10(6-9(11)14(17)18)8-3-4-19-13(15)12(8)16/h3-4,6-7,14H,2,5H2,1H3.
What are the key properties of 2-chloro-4-[4-(difluoromethyl)-5-propoxy-2-pyridinyl]-3-fluoropyridine?
2-chloro-4-[4-(difluoromethyl)-5-propoxy-2-pyridinyl]-3-fluoropyridine has a molecular weight of 316.71 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-(difluoromethyl)-5-propoxy-2-pyridinyl]-3-fluoropyridine is sourced from PubChem (CID 123703407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).