6-chloro-2-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-2,3-diamine

C10H11ClF3N3 — CID 118278465

IUPAC6-chloro-2-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-2,3-diamine
SMILESNc1c(C(F)(F)F)cc(Cl)nc1NCC1CC1
InChIInChI=1S/C10H11ClF3N3/c11-7-3-6(10(12,13)14)8(15)9(17-7)16-4-5-1-2-5/h3,5H,1-2,4,15H2,(H,16,17)
InChIKeyJBZIFMLXLZEJBP-UHFFFAOYSA-N
MW265.67 g/mol
LogP3.16
Rot. Bonds3

About 6-chloro-2-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-2,3-diamine

6-chloro-2-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-2,3-diamine (PubChem CID 118278465) has the molecular formula C10H11ClF3N3 and a molecular weight of 265.67 g/mol. Its IUPAC name is 6-chloro-2-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-2,3-diamine
PubChem CID118278465
Molecular FormulaC10H11ClF3N3
Molecular Weight265.67 g/mol
Exact Mass265.06
IUPAC Name6-chloro-2-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-2,3-diamine
SMILESNc1c(C(F)(F)F)cc(Cl)nc1NCC1CC1
InChIInChI=1S/C10H11ClF3N3/c11-7-3-6(10(12,13)14)8(15)9(17-7)16-4-5-1-2-5/h3,5H,1-2,4,15H2,(H,16,17)
InChIKeyJBZIFMLXLZEJBP-UHFFFAOYSA-N
XLogP3.16
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 6-chloro-2-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-2,3-diamine (CID 118278465) is 6-chloro-2-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-2,3-diamine is Nc1c(C(F)(F)F)cc(Cl)nc1NCC1CC1.
What is the InChIKey of 6-chloro-2-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-2,3-diamine?
The InChIKey is JBZIFMLXLZEJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3/c11-7-3-6(10(12,13)14)8(15)9(17-7)16-4-5-1-2-5/h3,5H,1-2,4,15H2,(H,16,17).
What are the key properties of 6-chloro-2-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-2,3-diamine?
6-chloro-2-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-2,3-diamine has a molecular weight of 265.67 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-2,3-diamine is sourced from PubChem (CID 118278465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).