2-chloro-N-(5-fluoro-2-pyridinyl)prop-2-enamide

C8H6ClFN2O — CID 130840916

IUPAC2-chloro-N-(5-fluoro-2-pyridinyl)prop-2-enamide
SMILESC=C(Cl)C(=O)Nc1ccc(F)cn1
InChIInChI=1S/C8H6ClFN2O/c1-5(9)8(13)12-7-3-2-6(10)4-11-7/h2-4H,1H2,(H,11,12,13)
InChIKeyAFKYTQOVSSSXNO-UHFFFAOYSA-N
MW200.60 g/mol
LogP1.91
Rot. Bonds2

About 2-chloro-N-(5-fluoro-2-pyridinyl)prop-2-enamide

2-chloro-N-(5-fluoro-2-pyridinyl)prop-2-enamide (PubChem CID 130840916) has the molecular formula C8H6ClFN2O and a molecular weight of 200.60 g/mol. Its IUPAC name is 2-chloro-N-(5-fluoro-2-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name2-chloro-N-(5-fluoro-2-pyridinyl)prop-2-enamide
PubChem CID130840916
Molecular FormulaC8H6ClFN2O
Molecular Weight200.60 g/mol
Exact Mass200.02
IUPAC Name2-chloro-N-(5-fluoro-2-pyridinyl)prop-2-enamide
SMILESC=C(Cl)C(=O)Nc1ccc(F)cn1
InChIInChI=1S/C8H6ClFN2O/c1-5(9)8(13)12-7-3-2-6(10)4-11-7/h2-4H,1H2,(H,11,12,13)
InChIKeyAFKYTQOVSSSXNO-UHFFFAOYSA-N
XLogP1.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.60
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-fluoro-2-pyridinyl)prop-2-enamide?
The IUPAC name of 2-chloro-N-(5-fluoro-2-pyridinyl)prop-2-enamide (CID 130840916) is 2-chloro-N-(5-fluoro-2-pyridinyl)prop-2-enamide.
What is the SMILES notation for 2-chloro-N-(5-fluoro-2-pyridinyl)prop-2-enamide?
The canonical SMILES for 2-chloro-N-(5-fluoro-2-pyridinyl)prop-2-enamide is C=C(Cl)C(=O)Nc1ccc(F)cn1.
What is the InChIKey of 2-chloro-N-(5-fluoro-2-pyridinyl)prop-2-enamide?
The InChIKey is AFKYTQOVSSSXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN2O/c1-5(9)8(13)12-7-3-2-6(10)4-11-7/h2-4H,1H2,(H,11,12,13).
What are the key properties of 2-chloro-N-(5-fluoro-2-pyridinyl)prop-2-enamide?
2-chloro-N-(5-fluoro-2-pyridinyl)prop-2-enamide has a molecular weight of 200.60 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-fluoro-2-pyridinyl)prop-2-enamide is sourced from PubChem (CID 130840916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).