(Z)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(dimethylamino)prop-2-enal

C11H10ClF3N2O — CID 1483149

IUPAC(Z)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(dimethylamino)prop-2-enal
SMILESCN(C)/C=C(\C=O)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H10ClF3N2O/c1-17(2)5-7(6-18)10-9(12)3-8(4-16-10)11(13,14)15/h3-6H,1-2H3/b7-5+
InChIKeyWXHDOMJHHHLTPH-FNORWQNLSA-N
MW278.66 g/mol
LogP2.86
Rot. Bonds3

About (Z)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(dimethylamino)prop-2-enal

(Z)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(dimethylamino)prop-2-enal (PubChem CID 1483149) has the molecular formula C11H10ClF3N2O and a molecular weight of 278.66 g/mol. Its IUPAC name is (Z)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(dimethylamino)prop-2-enal.

Molecular Properties

Compound Name(Z)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(dimethylamino)prop-2-enal
PubChem CID1483149
Molecular FormulaC11H10ClF3N2O
Molecular Weight278.66 g/mol
Exact Mass278.04
IUPAC Name(Z)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(dimethylamino)prop-2-enal
SMILESCN(C)/C=C(\C=O)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H10ClF3N2O/c1-17(2)5-7(6-18)10-9(12)3-8(4-16-10)11(13,14)15/h3-6H,1-2H3/b7-5+
InChIKeyWXHDOMJHHHLTPH-FNORWQNLSA-N
XLogP2.86
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.66
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(dimethylamino)prop-2-enal?
The IUPAC name of (Z)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(dimethylamino)prop-2-enal (CID 1483149) is (Z)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(dimethylamino)prop-2-enal.
What is the SMILES notation for (Z)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(dimethylamino)prop-2-enal?
The canonical SMILES for (Z)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(dimethylamino)prop-2-enal is CN(C)/C=C(\C=O)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of (Z)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(dimethylamino)prop-2-enal?
The InChIKey is WXHDOMJHHHLTPH-FNORWQNLSA-N. The full InChI is InChI=1S/C11H10ClF3N2O/c1-17(2)5-7(6-18)10-9(12)3-8(4-16-10)11(13,14)15/h3-6H,1-2H3/b7-5+.
What are the key properties of (Z)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(dimethylamino)prop-2-enal?
(Z)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(dimethylamino)prop-2-enal has a molecular weight of 278.66 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(dimethylamino)prop-2-enal is sourced from PubChem (CID 1483149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).