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

C12H17ClF3N3 — CID 115310843

IUPAC2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dimethylbutane-1,2-diamine
SMILESCC(C)C(C)(CN)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H17ClF3N3/c1-7(2)11(3,6-17)19-10-9(13)4-8(5-18-10)12(14,15)16/h4-5,7H,6,17H2,1-3H3,(H,18,19)
InChIKeyNGXISRDIHZSLDV-UHFFFAOYSA-N
MW295.74 g/mol
LogP3.54
Rot. Bonds4

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

2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dimethylbutane-1,2-diamine (PubChem CID 115310843) has the molecular formula C12H17ClF3N3 and a molecular weight of 295.74 g/mol. Its IUPAC name is 2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dimethylbutane-1,2-diamine
PubChem CID115310843
Molecular FormulaC12H17ClF3N3
Molecular Weight295.74 g/mol
Exact Mass295.11
IUPAC Name2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dimethylbutane-1,2-diamine
SMILESCC(C)C(C)(CN)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H17ClF3N3/c1-7(2)11(3,6-17)19-10-9(13)4-8(5-18-10)12(14,15)16/h4-5,7H,6,17H2,1-3H3,(H,18,19)
InChIKeyNGXISRDIHZSLDV-UHFFFAOYSA-N
XLogP3.54
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dimethylbutane-1,2-diamine?
The IUPAC name of 2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dimethylbutane-1,2-diamine (CID 115310843) is 2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dimethylbutane-1,2-diamine is CC(C)C(C)(CN)Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dimethylbutane-1,2-diamine?
The InChIKey is NGXISRDIHZSLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClF3N3/c1-7(2)11(3,6-17)19-10-9(13)4-8(5-18-10)12(14,15)16/h4-5,7H,6,17H2,1-3H3,(H,18,19).
What are the key properties of 2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dimethylbutane-1,2-diamine?
2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dimethylbutane-1,2-diamine has a molecular weight of 295.74 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 115310843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).