N-butan-2-yl-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine

C11H14ClF3N2 — CID 102715484

IUPACN-butan-2-yl-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCC(C)N(C)c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C11H14ClF3N2/c1-4-7(2)17(3)10-6-8(11(13,14)15)5-9(12)16-10/h5-7H,4H2,1-3H3
InChIKeyATIPJFHPDGUJGP-UHFFFAOYSA-N
MW266.69 g/mol
LogP3.99
Rot. Bonds3

About N-butan-2-yl-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine

N-butan-2-yl-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102715484) has the molecular formula C11H14ClF3N2 and a molecular weight of 266.69 g/mol. Its IUPAC name is N-butan-2-yl-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102715484
Molecular FormulaC11H14ClF3N2
Molecular Weight266.69 g/mol
Exact Mass266.08
IUPAC NameN-butan-2-yl-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCC(C)N(C)c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C11H14ClF3N2/c1-4-7(2)17(3)10-6-8(11(13,14)15)5-9(12)16-10/h5-7H,4H2,1-3H3
InChIKeyATIPJFHPDGUJGP-UHFFFAOYSA-N
XLogP3.99
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 53.99
H-Bond Donors ≤ 50
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 N-butan-2-yl-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-butan-2-yl-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine (CID 102715484) is N-butan-2-yl-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-butan-2-yl-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-butan-2-yl-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine is CCC(C)N(C)c1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of N-butan-2-yl-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ATIPJFHPDGUJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2/c1-4-7(2)17(3)10-6-8(11(13,14)15)5-9(12)16-10/h5-7H,4H2,1-3H3.
What are the key properties of N-butan-2-yl-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
N-butan-2-yl-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 266.69 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102715484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).