6-(difluoromethoxy)-1-methylindazol-3-amine

C9H9F2N3O — CID 57476554

IUPAC6-(difluoromethoxy)-1-methylindazol-3-amine
SMILESCn1nc(N)c2ccc(OC(F)F)cc21
InChIInChI=1S/C9H9F2N3O/c1-14-7-4-5(15-9(10)11)2-3-6(7)8(12)13-14/h2-4,9H,1H3,(H2,12,13)
InChIKeyLHRMIXPETPBOOD-UHFFFAOYSA-N
MW213.19 g/mol
LogP1.76
Rot. Bonds2

About 6-(difluoromethoxy)-1-methylindazol-3-amine

6-(difluoromethoxy)-1-methylindazol-3-amine (PubChem CID 57476554) has the molecular formula C9H9F2N3O and a molecular weight of 213.19 g/mol. Its IUPAC name is 6-(difluoromethoxy)-1-methylindazol-3-amine.

Molecular Properties

Compound Name6-(difluoromethoxy)-1-methylindazol-3-amine
PubChem CID57476554
Molecular FormulaC9H9F2N3O
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name6-(difluoromethoxy)-1-methylindazol-3-amine
SMILESCn1nc(N)c2ccc(OC(F)F)cc21
InChIInChI=1S/C9H9F2N3O/c1-14-7-4-5(15-9(10)11)2-3-6(7)8(12)13-14/h2-4,9H,1H3,(H2,12,13)
InChIKeyLHRMIXPETPBOOD-UHFFFAOYSA-N
XLogP1.76
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-1-methylindazol-3-amine?
The IUPAC name of 6-(difluoromethoxy)-1-methylindazol-3-amine (CID 57476554) is 6-(difluoromethoxy)-1-methylindazol-3-amine.
What is the SMILES notation for 6-(difluoromethoxy)-1-methylindazol-3-amine?
The canonical SMILES for 6-(difluoromethoxy)-1-methylindazol-3-amine is Cn1nc(N)c2ccc(OC(F)F)cc21.
What is the InChIKey of 6-(difluoromethoxy)-1-methylindazol-3-amine?
The InChIKey is LHRMIXPETPBOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O/c1-14-7-4-5(15-9(10)11)2-3-6(7)8(12)13-14/h2-4,9H,1H3,(H2,12,13).
What are the key properties of 6-(difluoromethoxy)-1-methylindazol-3-amine?
6-(difluoromethoxy)-1-methylindazol-3-amine has a molecular weight of 213.19 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-1-methylindazol-3-amine is sourced from PubChem (CID 57476554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).