3,5,6-trichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine

C10H9Cl3N4 — CID 102751690

IUPAC3,5,6-trichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine
SMILESCn1ccc(CNc2nc(Cl)c(Cl)cc2Cl)n1
InChIInChI=1S/C10H9Cl3N4/c1-17-3-2-6(16-17)5-14-10-8(12)4-7(11)9(13)15-10/h2-4H,5H2,1H3,(H,14,15)
InChIKeyVZYXOWLYGVKIQZ-UHFFFAOYSA-N
MW291.57 g/mol
LogP3.39
Rot. Bonds3

About 3,5,6-trichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine

3,5,6-trichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine (PubChem CID 102751690) has the molecular formula C10H9Cl3N4 and a molecular weight of 291.57 g/mol. Its IUPAC name is 3,5,6-trichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine
PubChem CID102751690
Molecular FormulaC10H9Cl3N4
Molecular Weight291.57 g/mol
Exact Mass289.99
IUPAC Name3,5,6-trichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine
SMILESCn1ccc(CNc2nc(Cl)c(Cl)cc2Cl)n1
InChIInChI=1S/C10H9Cl3N4/c1-17-3-2-6(16-17)5-14-10-8(12)4-7(11)9(13)15-10/h2-4H,5H2,1H3,(H,14,15)
InChIKeyVZYXOWLYGVKIQZ-UHFFFAOYSA-N
XLogP3.39
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.57
LogP ≤ 53.39
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-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine (CID 102751690) is 3,5,6-trichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine is Cn1ccc(CNc2nc(Cl)c(Cl)cc2Cl)n1.
What is the InChIKey of 3,5,6-trichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine?
The InChIKey is VZYXOWLYGVKIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3N4/c1-17-3-2-6(16-17)5-14-10-8(12)4-7(11)9(13)15-10/h2-4H,5H2,1H3,(H,14,15).
What are the key properties of 3,5,6-trichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine?
3,5,6-trichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine has a molecular weight of 291.57 g/mol, XLogP of 3.39, 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-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 102751690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).