(E)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylethenamine

C10H10ClF3N2 — CID 6285497

IUPAC(E)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylethenamine
SMILESCN(C)/C=C/c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H10ClF3N2/c1-16(2)4-3-9-8(11)5-7(6-15-9)10(12,13)14/h3-6H,1-2H3/b4-3+
InChIKeyYICDEAOTMWXASA-ONEGZZNKSA-N
MW250.65 g/mol
LogP3.29
Rot. Bonds2

About (E)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylethenamine

(E)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylethenamine (PubChem CID 6285497) has the molecular formula C10H10ClF3N2 and a molecular weight of 250.65 g/mol. Its IUPAC name is (E)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylethenamine.

Molecular Properties

Compound Name(E)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylethenamine
PubChem CID6285497
Molecular FormulaC10H10ClF3N2
Molecular Weight250.65 g/mol
Exact Mass250.05
IUPAC Name(E)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylethenamine
SMILESCN(C)/C=C/c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H10ClF3N2/c1-16(2)4-3-9-8(11)5-7(6-15-9)10(12,13)14/h3-6H,1-2H3/b4-3+
InChIKeyYICDEAOTMWXASA-ONEGZZNKSA-N
XLogP3.29
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.65
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylethenamine?
The IUPAC name of (E)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylethenamine (CID 6285497) is (E)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylethenamine.
What is the SMILES notation for (E)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylethenamine?
The canonical SMILES for (E)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylethenamine is CN(C)/C=C/c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of (E)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylethenamine?
The InChIKey is YICDEAOTMWXASA-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H10ClF3N2/c1-16(2)4-3-9-8(11)5-7(6-15-9)10(12,13)14/h3-6H,1-2H3/b4-3+.
What are the key properties of (E)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylethenamine?
(E)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylethenamine has a molecular weight of 250.65 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylethenamine is sourced from PubChem (CID 6285497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).