N-(3-chloro-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine

C10H12ClF3N2 — CID 66328524

IUPACN-(3-chloro-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(CCl)CNc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C10H12ClF3N2/c1-7(5-11)6-16-9-4-8(2-3-15-9)10(12,13)14/h2-4,7H,5-6H2,1H3,(H,15,16)
InChIKeyPJIXFOIVCQWGCG-UHFFFAOYSA-N
MW252.67 g/mol
LogP3.39
Rot. Bonds4

About N-(3-chloro-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine

N-(3-chloro-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 66328524) has the molecular formula C10H12ClF3N2 and a molecular weight of 252.67 g/mol. Its IUPAC name is N-(3-chloro-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID66328524
Molecular FormulaC10H12ClF3N2
Molecular Weight252.67 g/mol
Exact Mass252.06
IUPAC NameN-(3-chloro-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(CCl)CNc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C10H12ClF3N2/c1-7(5-11)6-16-9-4-8(2-3-15-9)10(12,13)14/h2-4,7H,5-6H2,1H3,(H,15,16)
InChIKeyPJIXFOIVCQWGCG-UHFFFAOYSA-N
XLogP3.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.67
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(3-chloro-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine (CID 66328524) is N-(3-chloro-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(3-chloro-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(3-chloro-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine is CC(CCl)CNc1cc(C(F)(F)F)ccn1.
What is the InChIKey of N-(3-chloro-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is PJIXFOIVCQWGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2/c1-7(5-11)6-16-9-4-8(2-3-15-9)10(12,13)14/h2-4,7H,5-6H2,1H3,(H,15,16).
What are the key properties of N-(3-chloro-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine?
N-(3-chloro-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 252.67 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 66328524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).