5-chloro-3-[5-(3-chloro-4-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]-2-(difluoromethoxy)pyridine

C14H9Cl2F2N5O — CID 171547716

IUPAC5-chloro-3-[5-(3-chloro-4-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]-2-(difluoromethoxy)pyridine
SMILESCn1c(-c2ccncc2Cl)nnc1-c1cc(Cl)cnc1OC(F)F
InChIInChI=1S/C14H9Cl2F2N5O/c1-23-11(8-2-3-19-6-10(8)16)21-22-12(23)9-4-7(15)5-20-13(9)24-14(17)18/h2-6,14H,1H3
InChIKeyMLKFKHNAZDKGGJ-UHFFFAOYSA-N
MW372.16 g/mol
LogP3.85
Rot. Bonds4

About 5-chloro-3-[5-(3-chloro-4-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]-2-(difluoromethoxy)pyridine

5-chloro-3-[5-(3-chloro-4-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]-2-(difluoromethoxy)pyridine (PubChem CID 171547716) has the molecular formula C14H9Cl2F2N5O and a molecular weight of 372.16 g/mol. Its IUPAC name is 5-chloro-3-[5-(3-chloro-4-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]-2-(difluoromethoxy)pyridine.

Molecular Properties

Compound Name5-chloro-3-[5-(3-chloro-4-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]-2-(difluoromethoxy)pyridine
PubChem CID171547716
Molecular FormulaC14H9Cl2F2N5O
Molecular Weight372.16 g/mol
Exact Mass371.02
IUPAC Name5-chloro-3-[5-(3-chloro-4-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]-2-(difluoromethoxy)pyridine
SMILESCn1c(-c2ccncc2Cl)nnc1-c1cc(Cl)cnc1OC(F)F
InChIInChI=1S/C14H9Cl2F2N5O/c1-23-11(8-2-3-19-6-10(8)16)21-22-12(23)9-4-7(15)5-20-13(9)24-14(17)18/h2-6,14H,1H3
InChIKeyMLKFKHNAZDKGGJ-UHFFFAOYSA-N
XLogP3.85
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.16
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-chloro-3-[5-(3-chloro-4-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]-2-(difluoromethoxy)pyridine with MolForge

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Related Compounds

2-[5-[5-chloro-2-(difluoromethoxy)-3-pyridinyl]-4-methyl-1,2,4-triazol-3-yl]benzonitrile
CID 171547910
5-chloro-2-(difluoromethoxy)-3-pyridin-4-ylpyridine
CID 46317934
5-chloro-2-(difluoromethoxy)-3-[5-(5-fluoro-1,3-benzodioxol-4-yl)-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 171547757
5-chloro-2-(difluoromethoxy)-3-[5-(2,3-dihydro-1-benzofuran-4-yl)-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 171547893
(3Z,5Z)-4-[5-[5-chloro-2-(difluoromethoxy)-3-pyridinyl]-4-methyl-1,2,4-triazol-3-yl]hepta-1,3,5-trien-3-amine
CID 171547781
5-chloro-2-(difluoromethoxy)-3-propan-2-ylpyridine
CID 176611262
3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyridine
CID 59216151
5-chloro-2-(difluoromethoxy)-N-methylpyridine-3-carboxamide
CID 171547725
3-chloro-2-(difluoromethoxy)-5-pyridin-3-ylpyridine
CID 46317937
5-chloro-3-(4-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)pyridine
CID 66692587
5-chloro-2-(difluoromethoxy)pyridine-3-sulfonyl chloride
CID 138675726
5-chloro-2-methoxy-3-(2,3,5-trichlorophenyl)pyridine
CID 134637303

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[5-(3-chloro-4-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]-2-(difluoromethoxy)pyridine?
The IUPAC name of 5-chloro-3-[5-(3-chloro-4-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]-2-(difluoromethoxy)pyridine (CID 171547716) is 5-chloro-3-[5-(3-chloro-4-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]-2-(difluoromethoxy)pyridine.
What is the SMILES notation for 5-chloro-3-[5-(3-chloro-4-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]-2-(difluoromethoxy)pyridine?
The canonical SMILES for 5-chloro-3-[5-(3-chloro-4-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]-2-(difluoromethoxy)pyridine is Cn1c(-c2ccncc2Cl)nnc1-c1cc(Cl)cnc1OC(F)F.
What is the InChIKey of 5-chloro-3-[5-(3-chloro-4-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]-2-(difluoromethoxy)pyridine?
The InChIKey is MLKFKHNAZDKGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F2N5O/c1-23-11(8-2-3-19-6-10(8)16)21-22-12(23)9-4-7(15)5-20-13(9)24-14(17)18/h2-6,14H,1H3.
What are the key properties of 5-chloro-3-[5-(3-chloro-4-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]-2-(difluoromethoxy)pyridine?
5-chloro-3-[5-(3-chloro-4-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]-2-(difluoromethoxy)pyridine has a molecular weight of 372.16 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[5-(3-chloro-4-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]-2-(difluoromethoxy)pyridine is sourced from PubChem (CID 171547716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).