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

C8H9ClF3N3 — CID 2767079

IUPACN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESNCCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H9ClF3N3/c9-6-3-5(8(10,11)12)4-15-7(6)14-2-1-13/h3-4H,1-2,13H2,(H,14,15)
InChIKeyQNCJTOXEHSOJAM-UHFFFAOYSA-N
MW239.63 g/mol
LogP2.12
Rot. Bonds3

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

N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (PubChem CID 2767079) has the molecular formula C8H9ClF3N3 and a molecular weight of 239.63 g/mol. Its IUPAC name is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
PubChem CID2767079
Molecular FormulaC8H9ClF3N3
Molecular Weight239.63 g/mol
Exact Mass239.04
IUPAC NameN'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESNCCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H9ClF3N3/c9-6-3-5(8(10,11)12)4-15-7(6)14-2-1-13/h3-4H,1-2,13H2,(H,14,15)
InChIKeyQNCJTOXEHSOJAM-UHFFFAOYSA-N
XLogP2.12
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.63
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (CID 2767079) is N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is NCCNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is QNCJTOXEHSOJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3/c9-6-3-5(8(10,11)12)4-15-7(6)14-2-1-13/h3-4H,1-2,13H2,(H,14,15).
What are the key properties of N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 239.63 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 2767079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).