2-chloro-5-fluoro-4-methylpyrimidine

C5H4ClFN2 — CID 20778073

IUPAC2-chloro-5-fluoro-4-methylpyrimidine
SMILESCc1nc(Cl)ncc1F
InChIInChI=1S/C5H4ClFN2/c1-3-4(7)2-8-5(6)9-3/h2H,1H3
InChIKeyITAJKPNAPXHDDZ-UHFFFAOYSA-N
MW146.55 g/mol
LogP1.58
Rot. Bonds

About 2-chloro-5-fluoro-4-methylpyrimidine

2-chloro-5-fluoro-4-methylpyrimidine (PubChem CID 20778073) has the molecular formula C5H4ClFN2 and a molecular weight of 146.55 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-methylpyrimidine
PubChem CID20778073
Molecular FormulaC5H4ClFN2
Molecular Weight146.55 g/mol
Exact Mass146.00
IUPAC Name2-chloro-5-fluoro-4-methylpyrimidine
SMILESCc1nc(Cl)ncc1F
InChIInChI=1S/C5H4ClFN2/c1-3-4(7)2-8-5(6)9-3/h2H,1H3
InChIKeyITAJKPNAPXHDDZ-UHFFFAOYSA-N
XLogP1.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.55
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-4-methylpyrimidine
CID 7939
4-Methylpyrimidine
CID 18922
2-Amino-4-(trifluoromethyl)pyrimidine
CID 595915
5-Bromo-4-methylpyrimidin-2-amine
CID 18616196
2-Chloro-4-(trifluoromethyl)pyrimidine
CID 2773912
5-Bromo-2-chloro-4-(trifluoromethyl)pyrimidine
CID 11425490
2-Bromo-4-(trifluoromethyl)pyrimidine
CID 11436086
2-Chloro-4-methylpyrimidine
CID 11629607
2-Fluoro-4-methylpyrimidine
CID 17804394
2-Chloro-4-ethenylpyrimidine
CID 45080173
4,5-Dimethylpyrimidine
CID 572516
5-Amino-4-methylpyrimidine
CID 227541

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-methylpyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-methylpyrimidine (CID 20778073) is 2-chloro-5-fluoro-4-methylpyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-methylpyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-methylpyrimidine is Cc1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-4-methylpyrimidine?
The InChIKey is ITAJKPNAPXHDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClFN2/c1-3-4(7)2-8-5(6)9-3/h2H,1H3.
What are the key properties of 2-chloro-5-fluoro-4-methylpyrimidine?
2-chloro-5-fluoro-4-methylpyrimidine has a molecular weight of 146.55 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-methylpyrimidine is sourced from PubChem (CID 20778073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).