7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-amine

C9H7BrClF2N3 — CID 134262966

IUPAC7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-amine
SMILESNc1nn(CC(F)F)c2c(Br)ccc(Cl)c12
InChIInChI=1S/C9H7BrClF2N3/c10-4-1-2-5(11)7-8(4)16(3-6(12)13)15-9(7)14/h1-2,6H,3H2,(H2,14,15)
InChIKeyHSQISZWGASOOBB-UHFFFAOYSA-N
MW310.53 g/mol
LogP3.30
Rot. Bonds2

About 7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-amine

7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-amine (PubChem CID 134262966) has the molecular formula C9H7BrClF2N3 and a molecular weight of 310.53 g/mol. Its IUPAC name is 7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-amine.

Molecular Properties

Compound Name7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-amine
PubChem CID134262966
Molecular FormulaC9H7BrClF2N3
Molecular Weight310.53 g/mol
Exact Mass308.95
IUPAC Name7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-amine
SMILESNc1nn(CC(F)F)c2c(Br)ccc(Cl)c12
InChIInChI=1S/C9H7BrClF2N3/c10-4-1-2-5(11)7-8(4)16(3-6(12)13)15-9(7)14/h1-2,6H,3H2,(H2,14,15)
InChIKeyHSQISZWGASOOBB-UHFFFAOYSA-N
XLogP3.30
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-amine?
The IUPAC name of 7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-amine (CID 134262966) is 7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-amine.
What is the SMILES notation for 7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-amine?
The canonical SMILES for 7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-amine is Nc1nn(CC(F)F)c2c(Br)ccc(Cl)c12.
What is the InChIKey of 7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-amine?
The InChIKey is HSQISZWGASOOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClF2N3/c10-4-1-2-5(11)7-8(4)16(3-6(12)13)15-9(7)14/h1-2,6H,3H2,(H2,14,15).
What are the key properties of 7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-amine?
7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-amine has a molecular weight of 310.53 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-amine is sourced from PubChem (CID 134262966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).