1-[(4-chloro-3-fluorophenyl)methyl]indazol-6-amine

C14H11ClFN3 — CID 107880816

IUPAC1-[(4-chloro-3-fluorophenyl)methyl]indazol-6-amine
SMILESNc1ccc2cnn(Cc3ccc(Cl)c(F)c3)c2c1
InChIInChI=1S/C14H11ClFN3/c15-12-4-1-9(5-13(12)16)8-19-14-6-11(17)3-2-10(14)7-18-19/h1-7H,8,17H2
InChIKeyXZAYEXMPZSLLBJ-UHFFFAOYSA-N
MW275.71 g/mol
LogP3.46
Rot. Bonds2

About 1-[(4-chloro-3-fluorophenyl)methyl]indazol-6-amine

1-[(4-chloro-3-fluorophenyl)methyl]indazol-6-amine (PubChem CID 107880816) has the molecular formula C14H11ClFN3 and a molecular weight of 275.71 g/mol. Its IUPAC name is 1-[(4-chloro-3-fluorophenyl)methyl]indazol-6-amine.

Molecular Properties

Compound Name1-[(4-chloro-3-fluorophenyl)methyl]indazol-6-amine
PubChem CID107880816
Molecular FormulaC14H11ClFN3
Molecular Weight275.71 g/mol
Exact Mass275.06
IUPAC Name1-[(4-chloro-3-fluorophenyl)methyl]indazol-6-amine
SMILESNc1ccc2cnn(Cc3ccc(Cl)c(F)c3)c2c1
InChIInChI=1S/C14H11ClFN3/c15-12-4-1-9(5-13(12)16)8-19-14-6-11(17)3-2-10(14)7-18-19/h1-7H,8,17H2
InChIKeyXZAYEXMPZSLLBJ-UHFFFAOYSA-N
XLogP3.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(6-aminoindazol-1-yl)methyl]benzonitrile
CID 22693472
1-[(3,5-dimethylphenyl)methyl]indazol-6-amine
CID 54911286
1-[(2,4-difluorophenyl)methyl]indazol-6-amine
CID 62197807
1-[(4-chloro-3-fluorophenyl)methyl]pyrazol-4-amine
CID 75357825
1-[(3-chlorophenyl)methyl]-6-fluoroindazole
CID 141202076
5-chloro-1-[(4-chlorophenyl)methyl]indazole
CID 59148107
1-benzyl-6-fluoroindazole
CID 83414179
1-(4-fluorobutyl)indazol-6-amine
CID 124707380
1-[(4-chloro-3-fluorophenyl)methyl]-5-methyltriazol-4-amine
CID 107889101
4-chloro-1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpyrazol-5-amine
CID 55063393
1-(cyclopropylmethyl)indazol-6-amine
CID 43646564
4-chloro-3-fluoroaniline
CID 2736511

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]indazol-6-amine?
The IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]indazol-6-amine (CID 107880816) is 1-[(4-chloro-3-fluorophenyl)methyl]indazol-6-amine.
What is the SMILES notation for 1-[(4-chloro-3-fluorophenyl)methyl]indazol-6-amine?
The canonical SMILES for 1-[(4-chloro-3-fluorophenyl)methyl]indazol-6-amine is Nc1ccc2cnn(Cc3ccc(Cl)c(F)c3)c2c1.
What is the InChIKey of 1-[(4-chloro-3-fluorophenyl)methyl]indazol-6-amine?
The InChIKey is XZAYEXMPZSLLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3/c15-12-4-1-9(5-13(12)16)8-19-14-6-11(17)3-2-10(14)7-18-19/h1-7H,8,17H2.
What are the key properties of 1-[(4-chloro-3-fluorophenyl)methyl]indazol-6-amine?
1-[(4-chloro-3-fluorophenyl)methyl]indazol-6-amine has a molecular weight of 275.71 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-fluorophenyl)methyl]indazol-6-amine is sourced from PubChem (CID 107880816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).