1-[(2,4-difluorophenyl)methyl]indazol-6-amine

C14H11F2N3 — CID 62197807

IUPAC1-[(2,4-difluorophenyl)methyl]indazol-6-amine
SMILESNc1ccc2cnn(Cc3ccc(F)cc3F)c2c1
InChIInChI=1S/C14H11F2N3/c15-11-3-1-10(13(16)5-11)8-19-14-6-12(17)4-2-9(14)7-18-19/h1-7H,8,17H2
InChIKeyGFTQEEBULYUDPK-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.94
Rot. Bonds2

About 1-[(2,4-difluorophenyl)methyl]indazol-6-amine

1-[(2,4-difluorophenyl)methyl]indazol-6-amine (PubChem CID 62197807) has the molecular formula C14H11F2N3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]indazol-6-amine.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]indazol-6-amine
PubChem CID62197807
Molecular FormulaC14H11F2N3
Molecular Weight259.26 g/mol
Exact Mass259.09
IUPAC Name1-[(2,4-difluorophenyl)methyl]indazol-6-amine
SMILESNc1ccc2cnn(Cc3ccc(F)cc3F)c2c1
InChIInChI=1S/C14H11F2N3/c15-11-3-1-10(13(16)5-11)8-19-14-6-12(17)4-2-9(14)7-18-19/h1-7H,8,17H2
InChIKeyGFTQEEBULYUDPK-UHFFFAOYSA-N
XLogP2.94
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]indazol-6-amine?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]indazol-6-amine (CID 62197807) is 1-[(2,4-difluorophenyl)methyl]indazol-6-amine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]indazol-6-amine?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]indazol-6-amine is Nc1ccc2cnn(Cc3ccc(F)cc3F)c2c1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]indazol-6-amine?
The InChIKey is GFTQEEBULYUDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3/c15-11-3-1-10(13(16)5-11)8-19-14-6-12(17)4-2-9(14)7-18-19/h1-7H,8,17H2.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]indazol-6-amine?
1-[(2,4-difluorophenyl)methyl]indazol-6-amine has a molecular weight of 259.26 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]indazol-6-amine is sourced from PubChem (CID 62197807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).