3-(difluoromethyl)-2H-indazol-7-amine

C8H7F2N3 — CID 84658857

IUPAC3-(difluoromethyl)-2H-indazol-7-amine
SMILESNc1cccc2c(C(F)F)[nH]nc12
InChIInChI=1S/C8H7F2N3/c9-8(10)7-4-2-1-3-5(11)6(4)12-13-7/h1-3,8H,11H2,(H,12,13)
InChIKeyPUPQXNZLAJMWMF-UHFFFAOYSA-N
MW183.16 g/mol
LogP2.08
Rot. Bonds1

About 3-(difluoromethyl)-2H-indazol-7-amine

3-(difluoromethyl)-2H-indazol-7-amine (PubChem CID 84658857) has the molecular formula C8H7F2N3 and a molecular weight of 183.16 g/mol. Its IUPAC name is 3-(difluoromethyl)-2H-indazol-7-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-2H-indazol-7-amine
PubChem CID84658857
Molecular FormulaC8H7F2N3
Molecular Weight183.16 g/mol
Exact Mass183.06
IUPAC Name3-(difluoromethyl)-2H-indazol-7-amine
SMILESNc1cccc2c(C(F)F)[nH]nc12
InChIInChI=1S/C8H7F2N3/c9-8(10)7-4-2-1-3-5(11)6(4)12-13-7/h1-3,8H,11H2,(H,12,13)
InChIKeyPUPQXNZLAJMWMF-UHFFFAOYSA-N
XLogP2.08
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(7-fluoro-2H-indazol-3-yl)-2-methylpropan-1-amine
CID 112716018
(3-propan-2-yl-2H-indazol-7-yl)methanamine
CID 105443889
2-(difluoromethyl)-1H-benzimidazol-4-amine
CID 45077990
1-(7-bromo-2H-indazol-3-yl)ethanamine
CID 83912564
3-methyl-2-(7-methyl-2H-indazol-3-yl)butan-1-amine
CID 83910115
1-(7-methoxy-2H-indazol-3-yl)ethanamine
CID 112714941
3-(difluoromethyl)-1,2-benzoxazol-7-amine
CID 84659396
2H-benzotriazol-4-amine;dihydrochloride
CID 162339490
1H-indazol-4-amine;dihydrochloride
CID 18779330
2-(7-methoxy-2H-indazol-3-yl)propan-1-amine
CID 83908733
1-(7-amino-2H-indazol-3-yl)-N-[(4-chloro-4-methoxycyclohexa-1,5-dien-1-yl)methyl]ethanesulfonamide
CID 175827517
4-(difluoromethyl)quinolin-3-amine
CID 178080175

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2H-indazol-7-amine?
The IUPAC name of 3-(difluoromethyl)-2H-indazol-7-amine (CID 84658857) is 3-(difluoromethyl)-2H-indazol-7-amine.
What is the SMILES notation for 3-(difluoromethyl)-2H-indazol-7-amine?
The canonical SMILES for 3-(difluoromethyl)-2H-indazol-7-amine is Nc1cccc2c(C(F)F)[nH]nc12.
What is the InChIKey of 3-(difluoromethyl)-2H-indazol-7-amine?
The InChIKey is PUPQXNZLAJMWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3/c9-8(10)7-4-2-1-3-5(11)6(4)12-13-7/h1-3,8H,11H2,(H,12,13).
What are the key properties of 3-(difluoromethyl)-2H-indazol-7-amine?
3-(difluoromethyl)-2H-indazol-7-amine has a molecular weight of 183.16 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2H-indazol-7-amine is sourced from PubChem (CID 84658857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).