2-chloro-5-methyl-4-(trifluoromethyl)pyrimidine

C6H4ClF3N2 — CID 22947905

IUPAC2-chloro-5-methyl-4-(trifluoromethyl)pyrimidine
SMILESCc1cnc(Cl)nc1C(F)(F)F
InChIInChI=1S/C6H4ClF3N2/c1-3-2-11-5(7)12-4(3)6(8,9)10/h2H,1H3
InChIKeyXVOXPWJNGZSEQX-UHFFFAOYSA-N
MW196.56 g/mol
LogP2.46
Rot. Bonds

About 2-chloro-5-methyl-4-(trifluoromethyl)pyrimidine

2-chloro-5-methyl-4-(trifluoromethyl)pyrimidine (PubChem CID 22947905) has the molecular formula C6H4ClF3N2 and a molecular weight of 196.56 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-methyl-4-(trifluoromethyl)pyrimidine
PubChem CID22947905
Molecular FormulaC6H4ClF3N2
Molecular Weight196.56 g/mol
Exact Mass196.00
IUPAC Name2-chloro-5-methyl-4-(trifluoromethyl)pyrimidine
SMILESCc1cnc(Cl)nc1C(F)(F)F
InChIInChI=1S/C6H4ClF3N2/c1-3-2-11-5(7)12-4(3)6(8,9)10/h2H,1H3
InChIKeyXVOXPWJNGZSEQX-UHFFFAOYSA-N
XLogP2.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.56
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-5-methyl-4-(trifluoromethyl)pyrimidine (CID 22947905) is 2-chloro-5-methyl-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-5-methyl-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-5-methyl-4-(trifluoromethyl)pyrimidine is Cc1cnc(Cl)nc1C(F)(F)F.
What is the InChIKey of 2-chloro-5-methyl-4-(trifluoromethyl)pyrimidine?
The InChIKey is XVOXPWJNGZSEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2/c1-3-2-11-5(7)12-4(3)6(8,9)10/h2H,1H3.
What are the key properties of 2-chloro-5-methyl-4-(trifluoromethyl)pyrimidine?
2-chloro-5-methyl-4-(trifluoromethyl)pyrimidine has a molecular weight of 196.56 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 22947905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).