4-chloro-6-(trifluoromethyl)pyrimidine

C5H2ClF3N2 — CID 11542881

IUPAC4-chloro-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(Cl)ncn1
InChIInChI=1S/C5H2ClF3N2/c6-4-1-3(5(7,8)9)10-2-11-4/h1-2H
InChIKeyTYSPDLZOMUDHQZ-UHFFFAOYSA-N
MW182.53 g/mol
LogP2.15
Rot. Bonds

About 4-chloro-6-(trifluoromethyl)pyrimidine

4-chloro-6-(trifluoromethyl)pyrimidine (PubChem CID 11542881) has the molecular formula C5H2ClF3N2 and a molecular weight of 182.53 g/mol. Its IUPAC name is 4-chloro-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(trifluoromethyl)pyrimidine
PubChem CID11542881
Molecular FormulaC5H2ClF3N2
Molecular Weight182.53 g/mol
Exact Mass181.99
IUPAC Name4-chloro-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(Cl)ncn1
InChIInChI=1S/C5H2ClF3N2/c6-4-1-3(5(7,8)9)10-2-11-4/h1-2H
InChIKeyTYSPDLZOMUDHQZ-UHFFFAOYSA-N
XLogP2.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.53
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-4-chloro-6-methylpyrimidine
CID 21810
2,4-Dichloro-6-methylpyrimidine
CID 79471
6-(Trifluoromethyl)pyrimidin-4-amine
CID 22385756
2,4-Dichloro-6-(trifluoromethyl)pyrimidine
CID 334203
4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine
CID 248063
4-Chloro-6-methylpyrimidine
CID 581796
2-Chloro-4-(trifluoromethyl)pyrimidine
CID 2773912
4-Chloro-2-methyl-6-(trifluoromethyl)pyrimidine
CID 19009749
2-Chloro-4-(difluoromethyl)pyrimidine
CID 71742924
4-Fluoro-6-methylpyrimidine
CID 20792609
4-Chloro-N,N,6-trimethylpyrimidin-2-amine
CID 21960
4-Chloro-6-(trifluoromethyl)pyrimidin-2-amine
CID 13086907

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(trifluoromethyl)pyrimidine (CID 11542881) is 4-chloro-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(Cl)ncn1.
What is the InChIKey of 4-chloro-6-(trifluoromethyl)pyrimidine?
The InChIKey is TYSPDLZOMUDHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClF3N2/c6-4-1-3(5(7,8)9)10-2-11-4/h1-2H.
What are the key properties of 4-chloro-6-(trifluoromethyl)pyrimidine?
4-chloro-6-(trifluoromethyl)pyrimidine has a molecular weight of 182.53 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 11542881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).