1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dimethylpyrazolo[4,5-b]pyridine

C15H10Cl2F3N3 — CID 15277999

IUPAC1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dimethylpyrazolo[4,5-b]pyridine
SMILESCc1cc2c(cnn2-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1C
InChIInChI=1S/C15H10Cl2F3N3/c1-7-3-13-12(22-8(7)2)6-21-23(13)14-10(16)4-9(5-11(14)17)15(18,19)20/h3-6H,1-2H3
InChIKeyCIWNWJBXOIZCDU-UHFFFAOYSA-N
MW360.17 g/mol
LogP5.36
Rot. Bonds1

About 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dimethylpyrazolo[4,5-b]pyridine

1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dimethylpyrazolo[4,5-b]pyridine (PubChem CID 15277999) has the molecular formula C15H10Cl2F3N3 and a molecular weight of 360.17 g/mol. Its IUPAC name is 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dimethylpyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dimethylpyrazolo[4,5-b]pyridine
PubChem CID15277999
Molecular FormulaC15H10Cl2F3N3
Molecular Weight360.17 g/mol
Exact Mass359.02
IUPAC Name1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dimethylpyrazolo[4,5-b]pyridine
SMILESCc1cc2c(cnn2-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1C
InChIInChI=1S/C15H10Cl2F3N3/c1-7-3-13-12(22-8(7)2)6-21-23(13)14-10(16)4-9(5-11(14)17)15(18,19)20/h3-6H,1-2H3
InChIKeyCIWNWJBXOIZCDU-UHFFFAOYSA-N
XLogP5.36
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.17
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,5-dimethyltriazole;N-methylmethanamine
CID 19988896
[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-5-yl]phosphonic acid
CID 15278616
ethyl 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-nitroindazole-6-carboxylate
CID 19737188
4-tert-butylsulfanyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 14054706
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethenyl-3,5-dimethylpyrazole
CID 21188130
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 10110800
1-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-4-(trifluoromethylsulfinyl)pyrazole
CID 141380449
ethyl 2-amino-4-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]oxy-3-oxopentanoate
CID 70263202
4-(2,2-dibromocyclopropyl)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 58012467
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(difluoromethylsulfanyl)-N-ethylpyrazol-5-amine
CID 19862621
2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-methyl-4,6-dihydrothieno[3,4-c]pyrazole
CID 59050184
4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(fluoromethylsulfanyl)-2-methylimidazole
CID 150528323

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dimethylpyrazolo[4,5-b]pyridine?
The IUPAC name of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dimethylpyrazolo[4,5-b]pyridine (CID 15277999) is 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dimethylpyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dimethylpyrazolo[4,5-b]pyridine?
The canonical SMILES for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dimethylpyrazolo[4,5-b]pyridine is Cc1cc2c(cnn2-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1C.
What is the InChIKey of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dimethylpyrazolo[4,5-b]pyridine?
The InChIKey is CIWNWJBXOIZCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F3N3/c1-7-3-13-12(22-8(7)2)6-21-23(13)14-10(16)4-9(5-11(14)17)15(18,19)20/h3-6H,1-2H3.
What are the key properties of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dimethylpyrazolo[4,5-b]pyridine?
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dimethylpyrazolo[4,5-b]pyridine has a molecular weight of 360.17 g/mol, XLogP of 5.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5,6-dimethylpyrazolo[4,5-b]pyridine is sourced from PubChem (CID 15277999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).