3-chloro-N-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-amine

C11H13Cl2F3N2 — CID 107320716

IUPAC3-chloro-N-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCCCCCCl)c(Cl)c1
InChIInChI=1S/C11H13Cl2F3N2/c12-4-2-1-3-5-17-10-9(13)6-8(7-18-10)11(14,15)16/h6-7H,1-5H2,(H,17,18)
InChIKeyNXCKDVIAMUCEBR-UHFFFAOYSA-N
MW301.14 g/mol
LogP4.57
Rot. Bonds6

About 3-chloro-N-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 107320716) has the molecular formula C11H13Cl2F3N2 and a molecular weight of 301.14 g/mol. Its IUPAC name is 3-chloro-N-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID107320716
Molecular FormulaC11H13Cl2F3N2
Molecular Weight301.14 g/mol
Exact Mass300.04
IUPAC Name3-chloro-N-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCCCCCCl)c(Cl)c1
InChIInChI=1S/C11H13Cl2F3N2/c12-4-2-1-3-5-17-10-9(13)6-8(7-18-10)11(14,15)16/h6-7H,1-5H2,(H,17,18)
InChIKeyNXCKDVIAMUCEBR-UHFFFAOYSA-N
XLogP4.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N'-tert-butyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine
CID 158421332
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
CID 2773862
3-chloro-N-(3-cyclopentylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 106012866
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]formamide
CID 145422813
N-(3-butoxypropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 115569610
3-chloro-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 28522071
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 53410038
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide
CID 3847361
3-chloro-N-(2-cyclohexyloxyethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 61063880
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl carbamate
CID 83204495
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 43388784
2-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzene-1,2-diamine
CID 2783012

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-amine (CID 107320716) is 3-chloro-N-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cnc(NCCCCCCl)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is NXCKDVIAMUCEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2F3N2/c12-4-2-1-3-5-17-10-9(13)6-8(7-18-10)11(14,15)16/h6-7H,1-5H2,(H,17,18).
What are the key properties of 3-chloro-N-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 301.14 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-chloropentyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 107320716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).