6-[chloro(difluoro)methyl]-2-(3,5-dichloro-2-pyridinyl)-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine

C13H5Cl3F5N5 — CID 123683083

IUPAC6-[chloro(difluoro)methyl]-2-(3,5-dichloro-2-pyridinyl)-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine
SMILESNc1c2c(C(F)(F)F)nc(C(F)(F)Cl)cc2nn1-c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H5Cl3F5N5/c14-4-1-5(15)11(23-3-4)26-10(22)8-6(25-26)2-7(12(16,17)18)24-9(8)13(19,20)21/h1-3H,22H2
InChIKeyZRXBKNWROTWKJF-UHFFFAOYSA-N
MW432.57 g/mol
LogP5.01
Rot. Bonds2

About 6-[chloro(difluoro)methyl]-2-(3,5-dichloro-2-pyridinyl)-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine

6-[chloro(difluoro)methyl]-2-(3,5-dichloro-2-pyridinyl)-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine (PubChem CID 123683083) has the molecular formula C13H5Cl3F5N5 and a molecular weight of 432.57 g/mol. Its IUPAC name is 6-[chloro(difluoro)methyl]-2-(3,5-dichloro-2-pyridinyl)-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine.

Molecular Properties

Compound Name6-[chloro(difluoro)methyl]-2-(3,5-dichloro-2-pyridinyl)-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine
PubChem CID123683083
Molecular FormulaC13H5Cl3F5N5
Molecular Weight432.57 g/mol
Exact Mass430.95
IUPAC Name6-[chloro(difluoro)methyl]-2-(3,5-dichloro-2-pyridinyl)-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine
SMILESNc1c2c(C(F)(F)F)nc(C(F)(F)Cl)cc2nn1-c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H5Cl3F5N5/c14-4-1-5(15)11(23-3-4)26-10(22)8-6(25-26)2-7(12(16,17)18)24-9(8)13(19,20)21/h1-3H,22H2
InChIKeyZRXBKNWROTWKJF-UHFFFAOYSA-N
XLogP5.01
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4,6-bis(trifluoromethyl)-2-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-3-amine
CID 123192158
2-(2,4,6-trichlorophenyl)-4,6-bis(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 77050656
2-(3,5-dichloro-1,2-dihydropyridin-6-yl)-6-(difluoromethyl)-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine
CID 144685278
2-[2-chloro-4-(trifluoromethyl)phenyl]-6-methyl-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine
CID 123368703
5-amino-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-iodopyrazole-3-carbonitrile
CID 54234963
3,5-dichloro-2-(1,2,4-triazol-4-yl)pyridine
CID 131020565
1-(3,5-dichloro-2-pyridinyl)-3,5-diethylpyrazol-4-amine
CID 82702386
1-(3,5-dichloro-2-pyridinyl)benzotriazole
CID 4825894
5-bromo-1-(5-bromo-3-chloro-2-pyridinyl)-1,2,4-triazol-3-amine
CID 103583004
2-(3,5-dichloro-2-pyridinyl)-5-methyltriazol-4-amine
CID 97057710
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine
CID 14821018
3,5-dichloro-2-(3,5-diethylpyrazol-1-yl)pyridine
CID 82698804

Frequently Asked Questions

What is the IUPAC name of 6-[chloro(difluoro)methyl]-2-(3,5-dichloro-2-pyridinyl)-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine?
The IUPAC name of 6-[chloro(difluoro)methyl]-2-(3,5-dichloro-2-pyridinyl)-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine (CID 123683083) is 6-[chloro(difluoro)methyl]-2-(3,5-dichloro-2-pyridinyl)-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine.
What is the SMILES notation for 6-[chloro(difluoro)methyl]-2-(3,5-dichloro-2-pyridinyl)-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine?
The canonical SMILES for 6-[chloro(difluoro)methyl]-2-(3,5-dichloro-2-pyridinyl)-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine is Nc1c2c(C(F)(F)F)nc(C(F)(F)Cl)cc2nn1-c1ncc(Cl)cc1Cl.
What is the InChIKey of 6-[chloro(difluoro)methyl]-2-(3,5-dichloro-2-pyridinyl)-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine?
The InChIKey is ZRXBKNWROTWKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl3F5N5/c14-4-1-5(15)11(23-3-4)26-10(22)8-6(25-26)2-7(12(16,17)18)24-9(8)13(19,20)21/h1-3H,22H2.
What are the key properties of 6-[chloro(difluoro)methyl]-2-(3,5-dichloro-2-pyridinyl)-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine?
6-[chloro(difluoro)methyl]-2-(3,5-dichloro-2-pyridinyl)-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine has a molecular weight of 432.57 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro(difluoro)methyl]-2-(3,5-dichloro-2-pyridinyl)-4-(trifluoromethyl)pyrazolo[4,3-c]pyridin-3-amine is sourced from PubChem (CID 123683083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).