2-chloro-4-(difluoromethyl)-6-(1-ethoxyethenyl)pyrimidine

C9H9ClF2N2O — CID 178022025

IUPAC2-chloro-4-(difluoromethyl)-6-(1-ethoxyethenyl)pyrimidine
SMILESC=C(OCC)c1cc(C(F)F)nc(Cl)n1
InChIInChI=1S/C9H9ClF2N2O/c1-3-15-5(2)6-4-7(8(11)12)14-9(10)13-6/h4,8H,2-3H2,1H3
InChIKeyIOMSDJKUIUEFQQ-UHFFFAOYSA-N
MW234.63 g/mol
LogP3.07
Rot. Bonds4

About 2-chloro-4-(difluoromethyl)-6-(1-ethoxyethenyl)pyrimidine

2-chloro-4-(difluoromethyl)-6-(1-ethoxyethenyl)pyrimidine (PubChem CID 178022025) has the molecular formula C9H9ClF2N2O and a molecular weight of 234.63 g/mol. Its IUPAC name is 2-chloro-4-(difluoromethyl)-6-(1-ethoxyethenyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(difluoromethyl)-6-(1-ethoxyethenyl)pyrimidine
PubChem CID178022025
Molecular FormulaC9H9ClF2N2O
Molecular Weight234.63 g/mol
Exact Mass234.04
IUPAC Name2-chloro-4-(difluoromethyl)-6-(1-ethoxyethenyl)pyrimidine
SMILESC=C(OCC)c1cc(C(F)F)nc(Cl)n1
InChIInChI=1S/C9H9ClF2N2O/c1-3-15-5(2)6-4-7(8(11)12)14-9(10)13-6/h4,8H,2-3H2,1H3
InChIKeyIOMSDJKUIUEFQQ-UHFFFAOYSA-N
XLogP3.07
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.63
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-chloro-4-(difluoromethyl)-6-(1-ethoxyethenyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-amino-2-chloro-6-(difluoromethyl)pyridine-4-carboxylate
CID 134671239
ethyl 3,4-dichloro-6-(difluoromethyl)pyridine-2-carboxylate
CID 134669240
ethyl 2-[2-chloro-6-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate
CID 134674935
ethyl 2-[3-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134674966
ethyl 2-[4-amino-3-chloro-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134683959
ethyl 2-chloro-6-methylpyrimidine-4-carboxylate
CID 2736385
6-(1-ethoxyethenyl)-3-fluoro-2-methylpyridine
CID 67324666
ethyl 4-chloro-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate
CID 134685877
ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate
CID 134664341
ethyl 2-[2-(bromomethyl)-3-chloro-6-(difluoromethyl)-4-pyridinyl]acetate
CID 134674555
ethyl 3-chloro-2-cyano-6-(difluoromethyl)pyridine-4-carboxylate
CID 134674109
ethyl 2-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]sulfonylacetate
CID 176900964

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(difluoromethyl)-6-(1-ethoxyethenyl)pyrimidine?
The IUPAC name of 2-chloro-4-(difluoromethyl)-6-(1-ethoxyethenyl)pyrimidine (CID 178022025) is 2-chloro-4-(difluoromethyl)-6-(1-ethoxyethenyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(difluoromethyl)-6-(1-ethoxyethenyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(difluoromethyl)-6-(1-ethoxyethenyl)pyrimidine is C=C(OCC)c1cc(C(F)F)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-(difluoromethyl)-6-(1-ethoxyethenyl)pyrimidine?
The InChIKey is IOMSDJKUIUEFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2N2O/c1-3-15-5(2)6-4-7(8(11)12)14-9(10)13-6/h4,8H,2-3H2,1H3.
What are the key properties of 2-chloro-4-(difluoromethyl)-6-(1-ethoxyethenyl)pyrimidine?
2-chloro-4-(difluoromethyl)-6-(1-ethoxyethenyl)pyrimidine has a molecular weight of 234.63 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(difluoromethyl)-6-(1-ethoxyethenyl)pyrimidine is sourced from PubChem (CID 178022025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).