6-chloro-N-(2-methylcyclopropyl)-4-(trifluoromethyl)pyridin-2-amine

C10H10ClF3N2 — CID 102715826

IUPAC6-chloro-N-(2-methylcyclopropyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC1CC1Nc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C10H10ClF3N2/c1-5-2-7(5)15-9-4-6(10(12,13)14)3-8(11)16-9/h3-5,7H,2H2,1H3,(H,15,16)
InChIKeyUENACAJWSICYSB-UHFFFAOYSA-N
MW250.65 g/mol
LogP3.57
Rot. Bonds2

About 6-chloro-N-(2-methylcyclopropyl)-4-(trifluoromethyl)pyridin-2-amine

6-chloro-N-(2-methylcyclopropyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102715826) has the molecular formula C10H10ClF3N2 and a molecular weight of 250.65 g/mol. Its IUPAC name is 6-chloro-N-(2-methylcyclopropyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2-methylcyclopropyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102715826
Molecular FormulaC10H10ClF3N2
Molecular Weight250.65 g/mol
Exact Mass250.05
IUPAC Name6-chloro-N-(2-methylcyclopropyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC1CC1Nc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C10H10ClF3N2/c1-5-2-7(5)15-9-4-6(10(12,13)14)3-8(11)16-9/h3-5,7H,2H2,1H3,(H,15,16)
InChIKeyUENACAJWSICYSB-UHFFFAOYSA-N
XLogP3.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.65
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-N-(2-methylcyclopropyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-(2-methylcyclopropyl)-4-(trifluoromethyl)pyridin-2-amine (CID 102715826) is 6-chloro-N-(2-methylcyclopropyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(2-methylcyclopropyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-(2-methylcyclopropyl)-4-(trifluoromethyl)pyridin-2-amine is CC1CC1Nc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 6-chloro-N-(2-methylcyclopropyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is UENACAJWSICYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2/c1-5-2-7(5)15-9-4-6(10(12,13)14)3-8(11)16-9/h3-5,7H,2H2,1H3,(H,15,16).
What are the key properties of 6-chloro-N-(2-methylcyclopropyl)-4-(trifluoromethyl)pyridin-2-amine?
6-chloro-N-(2-methylcyclopropyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 250.65 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methylcyclopropyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102715826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).