N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine

C11H15ClF3N3 — CID 3755918

IUPACN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H15ClF3N3/c1-18(2)5-3-4-16-10-9(12)6-8(7-17-10)11(13,14)15/h6-7H,3-5H2,1-2H3,(H,16,17)
InChIKeyCYYYFAGLDSAFSY-UHFFFAOYSA-N
MW281.71 g/mol
LogP3.12
Rot. Bonds5

About N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine

N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 3755918) has the molecular formula C11H15ClF3N3 and a molecular weight of 281.71 g/mol. Its IUPAC name is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID3755918
Molecular FormulaC11H15ClF3N3
Molecular Weight281.71 g/mol
Exact Mass281.09
IUPAC NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H15ClF3N3/c1-18(2)5-3-4-16-10-9(12)6-8(7-17-10)11(13,14)15/h6-7H,3-5H2,1-2H3,(H,16,17)
InChIKeyCYYYFAGLDSAFSY-UHFFFAOYSA-N
XLogP3.12
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine (CID 3755918) is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is CYYYFAGLDSAFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N3/c1-18(2)5-3-4-16-10-9(12)6-8(7-17-10)11(13,14)15/h6-7H,3-5H2,1-2H3,(H,16,17).
What are the key properties of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine?
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 281.71 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 3755918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).