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

C11H14ClF3N2O — CID 102715756

IUPAC6-chloro-N-(4-methoxybutyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCOCCCCNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C11H14ClF3N2O/c1-18-5-3-2-4-16-10-7-8(11(13,14)15)6-9(12)17-10/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyIOSHOSCVGUNBTB-UHFFFAOYSA-N
MW282.69 g/mol
LogP3.59
Rot. Bonds6

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

6-chloro-N-(4-methoxybutyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102715756) has the molecular formula C11H14ClF3N2O and a molecular weight of 282.69 g/mol. Its IUPAC name is 6-chloro-N-(4-methoxybutyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(4-methoxybutyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102715756
Molecular FormulaC11H14ClF3N2O
Molecular Weight282.69 g/mol
Exact Mass282.07
IUPAC Name6-chloro-N-(4-methoxybutyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCOCCCCNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C11H14ClF3N2O/c1-18-5-3-2-4-16-10-7-8(11(13,14)15)6-9(12)17-10/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyIOSHOSCVGUNBTB-UHFFFAOYSA-N
XLogP3.59
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Org 12962
CID 9796408
N-benzyl-6-chloropyridin-2-amine
CID 2405403
6-Chloro-4-(trifluoromethyl)pyridin-2-amine
CID 13986817
6-chloro-N-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine
CID 15698220
6-chloro-N-cyclopropyl-3-(trifluoromethyl)pyridin-2-amine
CID 15698221
N-Methyl-3-(trifluoromethyl)-6-chloro-2-pyridinamine
CID 11074677
6-chloro-N-methyl-5-(trifluoromethyl)-2-pyridinamine
CID 11805975
1-[6-Chloro-4-(trifluoromethyl)-2-pyridinyl]-2-methylpiperazine
CID 18186875
N-[6-chloro-4-(trifluoromethyl)pyridin-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 20339534
1-[6-Chloro-4-(trifluoromethyl)pyridin-2-yl]-1-[2-(dimethylamino)ethyl]-3,3-dimethylurea
CID 20339551
2-(2-Dimethylaminoethylamino)-4-trifluoromethyl-6-chloropyridine
CID 20339624
tert-butyl N-[6-chloro-4-(trifluoromethyl)pyridin-2-yl]carbamate
CID 20623982

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-methoxybutyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-(4-methoxybutyl)-4-(trifluoromethyl)pyridin-2-amine (CID 102715756) is 6-chloro-N-(4-methoxybutyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(4-methoxybutyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-(4-methoxybutyl)-4-(trifluoromethyl)pyridin-2-amine is COCCCCNc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 6-chloro-N-(4-methoxybutyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is IOSHOSCVGUNBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2O/c1-18-5-3-2-4-16-10-7-8(11(13,14)15)6-9(12)17-10/h6-7H,2-5H2,1H3,(H,16,17).
What are the key properties of 6-chloro-N-(4-methoxybutyl)-4-(trifluoromethyl)pyridin-2-amine?
6-chloro-N-(4-methoxybutyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 282.69 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-methoxybutyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102715756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).