3,5,6-trichloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine

C15H11Cl3N4 — CID 2483897

IUPAC3,5,6-trichloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine
SMILESCc1cc(Nc2nc(Cl)c(Cl)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C15H11Cl3N4/c1-9-7-13(22(21-9)10-5-3-2-4-6-10)19-15-12(17)8-11(16)14(18)20-15/h2-8H,1H3,(H,19,20)
InChIKeyHSVQBLJJVBOREI-UHFFFAOYSA-N
MW353.64 g/mol
LogP5.28
Rot. Bonds3

About 3,5,6-trichloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine

3,5,6-trichloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine (PubChem CID 2483897) has the molecular formula C15H11Cl3N4 and a molecular weight of 353.64 g/mol. Its IUPAC name is 3,5,6-trichloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine
PubChem CID2483897
Molecular FormulaC15H11Cl3N4
Molecular Weight353.64 g/mol
Exact Mass352.00
IUPAC Name3,5,6-trichloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine
SMILESCc1cc(Nc2nc(Cl)c(Cl)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C15H11Cl3N4/c1-9-7-13(22(21-9)10-5-3-2-4-6-10)19-15-12(17)8-11(16)14(18)20-15/h2-8H,1H3,(H,19,20)
InChIKeyHSVQBLJJVBOREI-UHFFFAOYSA-N
XLogP5.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.64
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine (CID 2483897) is 3,5,6-trichloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine is Cc1cc(Nc2nc(Cl)c(Cl)cc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of 3,5,6-trichloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine?
The InChIKey is HSVQBLJJVBOREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3N4/c1-9-7-13(22(21-9)10-5-3-2-4-6-10)19-15-12(17)8-11(16)14(18)20-15/h2-8H,1H3,(H,19,20).
What are the key properties of 3,5,6-trichloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine?
3,5,6-trichloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine has a molecular weight of 353.64 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-(5-methyl-2-phenylpyrazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 2483897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).