6-chloro-2-methyl-N-(6,6,6-trifluorohexan-2-yl)pyridin-3-amine

C12H16ClF3N2 — CID 107272235

IUPAC6-chloro-2-methyl-N-(6,6,6-trifluorohexan-2-yl)pyridin-3-amine
SMILESCc1nc(Cl)ccc1NC(C)CCCC(F)(F)F
InChIInChI=1S/C12H16ClF3N2/c1-8(4-3-7-12(14,15)16)17-10-5-6-11(13)18-9(10)2/h5-6,8,17H,3-4,7H2,1-2H3
InChIKeyQOMBFBADKNCWFP-UHFFFAOYSA-N
MW280.72 g/mol
LogP4.58
Rot. Bonds5

About 6-chloro-2-methyl-N-(6,6,6-trifluorohexan-2-yl)pyridin-3-amine

6-chloro-2-methyl-N-(6,6,6-trifluorohexan-2-yl)pyridin-3-amine (PubChem CID 107272235) has the molecular formula C12H16ClF3N2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-(6,6,6-trifluorohexan-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-N-(6,6,6-trifluorohexan-2-yl)pyridin-3-amine
PubChem CID107272235
Molecular FormulaC12H16ClF3N2
Molecular Weight280.72 g/mol
Exact Mass280.10
IUPAC Name6-chloro-2-methyl-N-(6,6,6-trifluorohexan-2-yl)pyridin-3-amine
SMILESCc1nc(Cl)ccc1NC(C)CCCC(F)(F)F
InChIInChI=1S/C12H16ClF3N2/c1-8(4-3-7-12(14,15)16)17-10-5-6-11(13)18-9(10)2/h5-6,8,17H,3-4,7H2,1-2H3
InChIKeyQOMBFBADKNCWFP-UHFFFAOYSA-N
XLogP4.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 54.58
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-(6,6,6-trifluorohexan-2-yl)pyridin-3-amine?
The IUPAC name of 6-chloro-2-methyl-N-(6,6,6-trifluorohexan-2-yl)pyridin-3-amine (CID 107272235) is 6-chloro-2-methyl-N-(6,6,6-trifluorohexan-2-yl)pyridin-3-amine.
What is the SMILES notation for 6-chloro-2-methyl-N-(6,6,6-trifluorohexan-2-yl)pyridin-3-amine?
The canonical SMILES for 6-chloro-2-methyl-N-(6,6,6-trifluorohexan-2-yl)pyridin-3-amine is Cc1nc(Cl)ccc1NC(C)CCCC(F)(F)F.
What is the InChIKey of 6-chloro-2-methyl-N-(6,6,6-trifluorohexan-2-yl)pyridin-3-amine?
The InChIKey is QOMBFBADKNCWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF3N2/c1-8(4-3-7-12(14,15)16)17-10-5-6-11(13)18-9(10)2/h5-6,8,17H,3-4,7H2,1-2H3.
What are the key properties of 6-chloro-2-methyl-N-(6,6,6-trifluorohexan-2-yl)pyridin-3-amine?
6-chloro-2-methyl-N-(6,6,6-trifluorohexan-2-yl)pyridin-3-amine has a molecular weight of 280.72 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-(6,6,6-trifluorohexan-2-yl)pyridin-3-amine is sourced from PubChem (CID 107272235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).