1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-6-amine

C13H8ClF3N4 — CID 15278584

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-6-amine
SMILESNc1ccc2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2c1
InChIInChI=1S/C13H8ClF3N4/c14-10-3-8(13(15,16)17)6-19-12(10)21-11-4-9(18)2-1-7(11)5-20-21/h1-6H,18H2
InChIKeyPHCWRXRWGBEPJL-UHFFFAOYSA-N
MW312.68 g/mol
LogP3.67
Rot. Bonds1

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-6-amine

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-6-amine (PubChem CID 15278584) has the molecular formula C13H8ClF3N4 and a molecular weight of 312.68 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-6-amine.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-6-amine
PubChem CID15278584
Molecular FormulaC13H8ClF3N4
Molecular Weight312.68 g/mol
Exact Mass312.04
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-6-amine
SMILESNc1ccc2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2c1
InChIInChI=1S/C13H8ClF3N4/c14-10-3-8(13(15,16)17)6-19-12(10)21-11-4-9(18)2-1-7(11)5-20-21/h1-6H,18H2
InChIKeyPHCWRXRWGBEPJL-UHFFFAOYSA-N
XLogP3.67
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.68
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-6-amine?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-6-amine (CID 15278584) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-6-amine.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-6-amine?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-6-amine is Nc1ccc2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2c1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-6-amine?
The InChIKey is PHCWRXRWGBEPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N4/c14-10-3-8(13(15,16)17)6-19-12(10)21-11-4-9(18)2-1-7(11)5-20-21/h1-6H,18H2.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-6-amine?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-6-amine has a molecular weight of 312.68 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazol-6-amine is sourced from PubChem (CID 15278584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).