2,4-bis[chloro(fluoro)methyl]pyrimidine

C6H4Cl2F2N2 — CID 57286453

IUPAC2,4-bis[chloro(fluoro)methyl]pyrimidine
SMILESFC(Cl)c1ccnc(C(F)Cl)n1
InChIInChI=1S/C6H4Cl2F2N2/c7-4(9)3-1-2-11-6(12-3)5(8)10/h1-2,4-5H
InChIKeyVSBOLHONCFHWDU-UHFFFAOYSA-N
MW213.01 g/mol
LogP2.89
Rot. Bonds2

About 2,4-bis[chloro(fluoro)methyl]pyrimidine

2,4-bis[chloro(fluoro)methyl]pyrimidine (PubChem CID 57286453) has the molecular formula C6H4Cl2F2N2 and a molecular weight of 213.01 g/mol. Its IUPAC name is 2,4-bis[chloro(fluoro)methyl]pyrimidine.

Molecular Properties

Compound Name2,4-bis[chloro(fluoro)methyl]pyrimidine
PubChem CID57286453
Molecular FormulaC6H4Cl2F2N2
Molecular Weight213.01 g/mol
Exact Mass211.97
IUPAC Name2,4-bis[chloro(fluoro)methyl]pyrimidine
SMILESFC(Cl)c1ccnc(C(F)Cl)n1
InChIInChI=1S/C6H4Cl2F2N2/c7-4(9)3-1-2-11-6(12-3)5(8)10/h1-2,4-5H
InChIKeyVSBOLHONCFHWDU-UHFFFAOYSA-N
XLogP2.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.01
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methylpyrimidine
CID 18922
2-Amino-4-(trifluoromethyl)pyrimidine
CID 595915
2-Chloro-4-(trifluoromethyl)pyrimidine
CID 2773912
2-Chloro-4-methylpyrimidine
CID 11629607
2-Fluoro-4-methylpyrimidine
CID 17804394
4-Methylpyrimidine-2-carbonitrile
CID 12684324
4-(Chloromethyl)pyrimidine
CID 13123553
2-Chloro-4-(difluoromethyl)pyrimidine
CID 71742924
Pyrimidine, 2,4-dimethyl-
CID 139742
2-Methyl-4-(trifluoromethyl)pyrimidine
CID 10103447
4-(Trifluoromethyl)pyrimidine
CID 15074799
2-(Chloromethyl)-4-methylpyrimidine
CID 12877372

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[chloro(fluoro)methyl]pyrimidine?
The IUPAC name of 2,4-bis[chloro(fluoro)methyl]pyrimidine (CID 57286453) is 2,4-bis[chloro(fluoro)methyl]pyrimidine.
What is the SMILES notation for 2,4-bis[chloro(fluoro)methyl]pyrimidine?
The canonical SMILES for 2,4-bis[chloro(fluoro)methyl]pyrimidine is FC(Cl)c1ccnc(C(F)Cl)n1.
What is the InChIKey of 2,4-bis[chloro(fluoro)methyl]pyrimidine?
The InChIKey is VSBOLHONCFHWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2F2N2/c7-4(9)3-1-2-11-6(12-3)5(8)10/h1-2,4-5H.
What are the key properties of 2,4-bis[chloro(fluoro)methyl]pyrimidine?
2,4-bis[chloro(fluoro)methyl]pyrimidine has a molecular weight of 213.01 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[chloro(fluoro)methyl]pyrimidine is sourced from PubChem (CID 57286453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).