4-(2-chloro-4-pyridinyl)-2-cyclopropyl-7-(difluoromethoxy)indazole

C16H12ClF2N3O — CID 175435822

IUPAC4-(2-chloro-4-pyridinyl)-2-cyclopropyl-7-(difluoromethoxy)indazole
SMILESFC(F)Oc1ccc(-c2ccnc(Cl)c2)c2cn(C3CC3)nc12
InChIInChI=1S/C16H12ClF2N3O/c17-14-7-9(5-6-20-14)11-3-4-13(23-16(18)19)15-12(11)8-22(21-15)10-1-2-10/h3-8,10,16H,1-2H2
InChIKeyPAHAAXFTEXUJNN-UHFFFAOYSA-N
MW335.74 g/mol
LogP4.69
Rot. Bonds4

About 4-(2-chloro-4-pyridinyl)-2-cyclopropyl-7-(difluoromethoxy)indazole

4-(2-chloro-4-pyridinyl)-2-cyclopropyl-7-(difluoromethoxy)indazole (PubChem CID 175435822) has the molecular formula C16H12ClF2N3O and a molecular weight of 335.74 g/mol. Its IUPAC name is 4-(2-chloro-4-pyridinyl)-2-cyclopropyl-7-(difluoromethoxy)indazole.

Molecular Properties

Compound Name4-(2-chloro-4-pyridinyl)-2-cyclopropyl-7-(difluoromethoxy)indazole
PubChem CID175435822
Molecular FormulaC16H12ClF2N3O
Molecular Weight335.74 g/mol
Exact Mass335.06
IUPAC Name4-(2-chloro-4-pyridinyl)-2-cyclopropyl-7-(difluoromethoxy)indazole
SMILESFC(F)Oc1ccc(-c2ccnc(Cl)c2)c2cn(C3CC3)nc12
InChIInChI=1S/C16H12ClF2N3O/c17-14-7-9(5-6-20-14)11-3-4-13(23-16(18)19)15-12(11)8-22(21-15)10-1-2-10/h3-8,10,16H,1-2H2
InChIKeyPAHAAXFTEXUJNN-UHFFFAOYSA-N
XLogP4.69
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.74
LogP ≤ 54.69
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 4-(2-chloro-4-pyridinyl)-2-cyclopropyl-7-(difluoromethoxy)indazole?
The IUPAC name of 4-(2-chloro-4-pyridinyl)-2-cyclopropyl-7-(difluoromethoxy)indazole (CID 175435822) is 4-(2-chloro-4-pyridinyl)-2-cyclopropyl-7-(difluoromethoxy)indazole.
What is the SMILES notation for 4-(2-chloro-4-pyridinyl)-2-cyclopropyl-7-(difluoromethoxy)indazole?
The canonical SMILES for 4-(2-chloro-4-pyridinyl)-2-cyclopropyl-7-(difluoromethoxy)indazole is FC(F)Oc1ccc(-c2ccnc(Cl)c2)c2cn(C3CC3)nc12.
What is the InChIKey of 4-(2-chloro-4-pyridinyl)-2-cyclopropyl-7-(difluoromethoxy)indazole?
The InChIKey is PAHAAXFTEXUJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N3O/c17-14-7-9(5-6-20-14)11-3-4-13(23-16(18)19)15-12(11)8-22(21-15)10-1-2-10/h3-8,10,16H,1-2H2.
What are the key properties of 4-(2-chloro-4-pyridinyl)-2-cyclopropyl-7-(difluoromethoxy)indazole?
4-(2-chloro-4-pyridinyl)-2-cyclopropyl-7-(difluoromethoxy)indazole has a molecular weight of 335.74 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-pyridinyl)-2-cyclopropyl-7-(difluoromethoxy)indazole is sourced from PubChem (CID 175435822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).