7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-3-fluoro-2H-indazole

C12H6ClF3N4O — CID 178073356

IUPAC7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-3-fluoro-2H-indazole
SMILESFc1[nH]nc2c(Cl)ccc(-c3cnc(OC(F)F)cn3)c12
InChIInChI=1S/C12H6ClF3N4O/c13-6-2-1-5(9-10(6)19-20-11(9)14)7-3-18-8(4-17-7)21-12(15)16/h1-4,12H,(H,19,20)
InChIKeyWWJZRYGTVSZAQN-UHFFFAOYSA-N
MW314.65 g/mol
LogP3.41
Rot. Bonds3

About 7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-3-fluoro-2H-indazole

7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-3-fluoro-2H-indazole (PubChem CID 178073356) has the molecular formula C12H6ClF3N4O and a molecular weight of 314.65 g/mol. Its IUPAC name is 7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-3-fluoro-2H-indazole.

Molecular Properties

Compound Name7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-3-fluoro-2H-indazole
PubChem CID178073356
Molecular FormulaC12H6ClF3N4O
Molecular Weight314.65 g/mol
Exact Mass314.02
IUPAC Name7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-3-fluoro-2H-indazole
SMILESFc1[nH]nc2c(Cl)ccc(-c3cnc(OC(F)F)cn3)c12
InChIInChI=1S/C12H6ClF3N4O/c13-6-2-1-5(9-10(6)19-20-11(9)14)7-3-18-8(4-17-7)21-12(15)16/h1-4,12H,(H,19,20)
InChIKeyWWJZRYGTVSZAQN-UHFFFAOYSA-N
XLogP3.41
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.65
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-3-fluoro-2H-indazole?
The IUPAC name of 7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-3-fluoro-2H-indazole (CID 178073356) is 7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-3-fluoro-2H-indazole.
What is the SMILES notation for 7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-3-fluoro-2H-indazole?
The canonical SMILES for 7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-3-fluoro-2H-indazole is Fc1[nH]nc2c(Cl)ccc(-c3cnc(OC(F)F)cn3)c12.
What is the InChIKey of 7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-3-fluoro-2H-indazole?
The InChIKey is WWJZRYGTVSZAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3N4O/c13-6-2-1-5(9-10(6)19-20-11(9)14)7-3-18-8(4-17-7)21-12(15)16/h1-4,12H,(H,19,20).
What are the key properties of 7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-3-fluoro-2H-indazole?
7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-3-fluoro-2H-indazole has a molecular weight of 314.65 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-3-fluoro-2H-indazole is sourced from PubChem (CID 178073356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).