carbon dioxide;2-chloro-5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine

C14H13Cl2F2N3O3 — CID 161297245

IUPACcarbon dioxide;2-chloro-5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine
SMILESCCc1nn(CC)c(-c2cnc(Cl)cc2OC(F)F)c1Cl.O=C=O
InChIInChI=1S/C13H13Cl2F2N3O.CO2/c1-3-8-11(15)12(20(4-2)19-8)7-6-18-10(14)5-9(7)21-13(16)17;2-1-3/h5-6,13H,3-4H2,1-2H3;
InChIKeyVHDDTBMAESSYHS-UHFFFAOYSA-N
MW380.18 g/mol
LogP3.85
Rot. Bonds5

About carbon dioxide;2-chloro-5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine

carbon dioxide;2-chloro-5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine (PubChem CID 161297245) has the molecular formula C14H13Cl2F2N3O3 and a molecular weight of 380.18 g/mol. Its IUPAC name is carbon dioxide;2-chloro-5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine.

Molecular Properties

Compound Namecarbon dioxide;2-chloro-5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine
PubChem CID161297245
Molecular FormulaC14H13Cl2F2N3O3
Molecular Weight380.18 g/mol
Exact Mass379.03
IUPAC Namecarbon dioxide;2-chloro-5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine
SMILESCCc1nn(CC)c(-c2cnc(Cl)cc2OC(F)F)c1Cl.O=C=O
InChIInChI=1S/C13H13Cl2F2N3O.CO2/c1-3-8-11(15)12(20(4-2)19-8)7-6-18-10(14)5-9(7)21-13(16)17;2-1-3/h5-6,13H,3-4H2,1-2H3;
InChIKeyVHDDTBMAESSYHS-UHFFFAOYSA-N
XLogP3.85
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.18
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chloro-1,3-diethylpyrazol-5-yl)-N-(1-cyclopropyl-2-methylpropan-2-yl)-4-(difluoromethoxy)pyridin-2-amine
CID 153296646
carbon dioxide;5-(2,5-diethyl-4-methylpyrazol-3-yl)-4-(difluoromethoxy)-2-[(2S)-3,3,3-trifluoro-2-methylpropyl]pyridine
CID 158092939
carbon dioxide;5-(2,5-diethyl-4-methylpyrazol-3-yl)-4-(difluoromethoxy)-2-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridine
CID 158092938
carbon dioxide;5-(2,5-diethyl-4-methylpyrazol-3-yl)-4-(difluoromethoxy)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine
CID 157459466
4-chloro-5-[2-(difluoromethoxy)-4-[(2S)-3,3,3-trifluoro-2-methylpropyl]phenyl]-1,3-diethylpyrazole
CID 153295881
6-chloro-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-(difluoromethoxy)pyridine
CID 153296742
4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-1,3-diethylpyrazole
CID 153295995
4-chloro-5-[2-(difluoromethoxy)-4-(4,4,4-trifluoro-2,2-dimethylbutyl)phenyl]-1,3-diethylpyrazole
CID 153296144
carbon dioxide;5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-ethyl-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine
CID 159854115
ethyl 4-chloro-5-[4-(difluoromethoxy)-6-(propylamino)-3-pyridinyl]-1-ethylpyrazole-3-carboxylate
CID 146286385
4-chloro-5-[4-(difluoromethoxy)-6-[(4,4,4-trifluoro-2-methylbutan-2-yl)amino]-3-pyridinyl]-1-ethylpyrazole-3-carboxylic acid
CID 175085731
4-chloro-5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2-methylpropyl)-3-pyridinyl]-1-ethylpyrazole-3-carboxylic acid
CID 146285878

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;2-chloro-5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine?
The IUPAC name of carbon dioxide;2-chloro-5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine (CID 161297245) is carbon dioxide;2-chloro-5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine.
What is the SMILES notation for carbon dioxide;2-chloro-5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine?
The canonical SMILES for carbon dioxide;2-chloro-5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine is CCc1nn(CC)c(-c2cnc(Cl)cc2OC(F)F)c1Cl.O=C=O.
What is the InChIKey of carbon dioxide;2-chloro-5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine?
The InChIKey is VHDDTBMAESSYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2F2N3O.CO2/c1-3-8-11(15)12(20(4-2)19-8)7-6-18-10(14)5-9(7)21-13(16)17;2-1-3/h5-6,13H,3-4H2,1-2H3;.
What are the key properties of carbon dioxide;2-chloro-5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine?
carbon dioxide;2-chloro-5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine has a molecular weight of 380.18 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;2-chloro-5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine is sourced from PubChem (CID 161297245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).