6-chloro-N-(5-methoxypentyl)-4-(trifluoromethyl)pyridin-2-amine

C12H16ClF3N2O — CID 114131004

IUPAC6-chloro-N-(5-methoxypentyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCOCCCCCNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C12H16ClF3N2O/c1-19-6-4-2-3-5-17-11-8-9(12(14,15)16)7-10(13)18-11/h7-8H,2-6H2,1H3,(H,17,18)
InChIKeyMNEPDKIJBVLZFI-UHFFFAOYSA-N
MW296.72 g/mol
LogP3.98
Rot. Bonds7

About 6-chloro-N-(5-methoxypentyl)-4-(trifluoromethyl)pyridin-2-amine

6-chloro-N-(5-methoxypentyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 114131004) has the molecular formula C12H16ClF3N2O and a molecular weight of 296.72 g/mol. Its IUPAC name is 6-chloro-N-(5-methoxypentyl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(5-methoxypentyl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID114131004
Molecular FormulaC12H16ClF3N2O
Molecular Weight296.72 g/mol
Exact Mass296.09
IUPAC Name6-chloro-N-(5-methoxypentyl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCOCCCCCNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C12H16ClF3N2O/c1-19-6-4-2-3-5-17-11-8-9(12(14,15)16)7-10(13)18-11/h7-8H,2-6H2,1H3,(H,17,18)
InChIKeyMNEPDKIJBVLZFI-UHFFFAOYSA-N
XLogP3.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 53.98
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

6-chloro-N-cyclopropyl-3-(trifluoromethyl)pyridin-2-amine
CID 15698221
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
2-(2-Dimethylaminoethylamino)-4-trifluoromethyl-6-chloropyridine
CID 20339624
4-(6-Chloro-4-(trifluoromethyl)pyridin-2-yl)morpholine
CID 28875856
1-[6-Chloro-4-(trifluoromethyl)pyridin-2-yl]piperazine
CID 28875858
6-chloro-N-((tetrahydro-2H-pyran-4-yl)methyl)-3-(trifluoromethyl)pyridin-2-amine
CID 58127318
6-chloro-N-propyl-3-(trifluoromethyl)pyridin-2-amine
CID 59131330
3-{[6-Chloro-3-(trifluoromethyl)-2-pyridinyl]amino}-1-propanol
CID 59300447
3-{[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-propanol
CID 59300473
6-Chloro-N-((tetrahydro-2H-pyran-4-yl)methyl)-5-(trifluoromethyl)pyridin-2-amine
CID 72942110
2-Chloro-6-(2,2,2-trifluoroethylamino)pyridine-4-carbonitrile
CID 83073671

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-methoxypentyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-(5-methoxypentyl)-4-(trifluoromethyl)pyridin-2-amine (CID 114131004) is 6-chloro-N-(5-methoxypentyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(5-methoxypentyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-(5-methoxypentyl)-4-(trifluoromethyl)pyridin-2-amine is COCCCCCNc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 6-chloro-N-(5-methoxypentyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is MNEPDKIJBVLZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF3N2O/c1-19-6-4-2-3-5-17-11-8-9(12(14,15)16)7-10(13)18-11/h7-8H,2-6H2,1H3,(H,17,18).
What are the key properties of 6-chloro-N-(5-methoxypentyl)-4-(trifluoromethyl)pyridin-2-amine?
6-chloro-N-(5-methoxypentyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 296.72 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-methoxypentyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 114131004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).