6-chloro-N-(3-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine

C11H14ClF3N2 — CID 102715447

IUPAC6-chloro-N-(3-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)CCNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C11H14ClF3N2/c1-7(2)3-4-16-10-6-8(11(13,14)15)5-9(12)17-10/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyCNOYDSFHMBKLSP-UHFFFAOYSA-N
MW266.69 g/mol
LogP4.21
Rot. Bonds4

About 6-chloro-N-(3-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine

6-chloro-N-(3-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102715447) has the molecular formula C11H14ClF3N2 and a molecular weight of 266.69 g/mol. Its IUPAC name is 6-chloro-N-(3-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(3-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102715447
Molecular FormulaC11H14ClF3N2
Molecular Weight266.69 g/mol
Exact Mass266.08
IUPAC Name6-chloro-N-(3-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)CCNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C11H14ClF3N2/c1-7(2)3-4-16-10-6-8(11(13,14)15)5-9(12)17-10/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyCNOYDSFHMBKLSP-UHFFFAOYSA-N
XLogP4.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 54.21
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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Related Compounds

6-chloro-N-(3-methylsulfinylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716198
3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-N-(2-methylpropyl)propanamide
CID 102716159
1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol
CID 107154974
N-but-3-enyl-6-chloro-4-(trifluoromethyl)pyridin-2-amine
CID 106196196
6-chloro-N-pentan-2-yl-4-(trifluoromethyl)pyridin-2-amine
CID 102715439
6-chloro-N-(2-methylbutan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715359
1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 102716204
6-chloro-N-(5-methylsulfanylpentyl)-4-(trifluoromethyl)pyridin-2-amine
CID 114128759
6-chloro-N-pent-4-ynyl-4-(trifluoromethyl)pyridin-2-amine
CID 106223110
tert-butyl N-[2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]carbamate
CID 102716232
6-chloro-N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102716041
6-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102716067

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-(3-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine (CID 102715447) is 6-chloro-N-(3-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(3-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-(3-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine is CC(C)CCNc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 6-chloro-N-(3-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is CNOYDSFHMBKLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2/c1-7(2)3-4-16-10-6-8(11(13,14)15)5-9(12)17-10/h5-7H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 6-chloro-N-(3-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine?
6-chloro-N-(3-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 266.69 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102715447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).