6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-(6-methyl-2-pyridinyl)indazole

C19H12ClF3N4 — CID 118664986

IUPAC6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-(6-methyl-2-pyridinyl)indazole
SMILESCc1cccc(-n2ncc3ccc(-c4cc(C(F)(F)F)cc(Cl)n4)cc32)n1
InChIInChI=1S/C19H12ClF3N4/c1-11-3-2-4-18(25-11)27-16-7-12(5-6-13(16)10-24-27)15-8-14(19(21,22)23)9-17(20)26-15/h2-10H,1H3
InChIKeyDFHIDYHDOXHUBG-UHFFFAOYSA-N
MW388.78 g/mol
LogP5.46
Rot. Bonds2

About 6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-(6-methyl-2-pyridinyl)indazole

6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-(6-methyl-2-pyridinyl)indazole (PubChem CID 118664986) has the molecular formula C19H12ClF3N4 and a molecular weight of 388.78 g/mol. Its IUPAC name is 6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-(6-methyl-2-pyridinyl)indazole.

Molecular Properties

Compound Name6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-(6-methyl-2-pyridinyl)indazole
PubChem CID118664986
Molecular FormulaC19H12ClF3N4
Molecular Weight388.78 g/mol
Exact Mass388.07
IUPAC Name6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-(6-methyl-2-pyridinyl)indazole
SMILESCc1cccc(-n2ncc3ccc(-c4cc(C(F)(F)F)cc(Cl)n4)cc32)n1
InChIInChI=1S/C19H12ClF3N4/c1-11-3-2-4-18(25-11)27-16-7-12(5-6-13(16)10-24-27)15-8-14(19(21,22)23)9-17(20)26-15/h2-10H,1H3
InChIKeyDFHIDYHDOXHUBG-UHFFFAOYSA-N
XLogP5.46
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.78
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-(6-methyl-2-pyridinyl)indazole?
The IUPAC name of 6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-(6-methyl-2-pyridinyl)indazole (CID 118664986) is 6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-(6-methyl-2-pyridinyl)indazole.
What is the SMILES notation for 6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-(6-methyl-2-pyridinyl)indazole?
The canonical SMILES for 6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-(6-methyl-2-pyridinyl)indazole is Cc1cccc(-n2ncc3ccc(-c4cc(C(F)(F)F)cc(Cl)n4)cc32)n1.
What is the InChIKey of 6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-(6-methyl-2-pyridinyl)indazole?
The InChIKey is DFHIDYHDOXHUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N4/c1-11-3-2-4-18(25-11)27-16-7-12(5-6-13(16)10-24-27)15-8-14(19(21,22)23)9-17(20)26-15/h2-10H,1H3.
What are the key properties of 6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-(6-methyl-2-pyridinyl)indazole?
6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-(6-methyl-2-pyridinyl)indazole has a molecular weight of 388.78 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1-(6-methyl-2-pyridinyl)indazole is sourced from PubChem (CID 118664986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).