2-chloro-6-(trifluoromethyl)pyrimidine-4-carboxylic acid

C6H2ClF3N2O2 — CID 10775652

IUPAC2-chloro-6-(trifluoromethyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C6H2ClF3N2O2/c7-5-11-2(4(13)14)1-3(12-5)6(8,9)10/h1H,(H,13,14)
InChIKeyNRCWKOWKCBXOBR-UHFFFAOYSA-N
MW226.54 g/mol
LogP1.85
Rot. Bonds1

About 2-chloro-6-(trifluoromethyl)pyrimidine-4-carboxylic acid

2-chloro-6-(trifluoromethyl)pyrimidine-4-carboxylic acid (PubChem CID 10775652) has the molecular formula C6H2ClF3N2O2 and a molecular weight of 226.54 g/mol. Its IUPAC name is 2-chloro-6-(trifluoromethyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(trifluoromethyl)pyrimidine-4-carboxylic acid
PubChem CID10775652
Molecular FormulaC6H2ClF3N2O2
Molecular Weight226.54 g/mol
Exact Mass225.98
IUPAC Name2-chloro-6-(trifluoromethyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C6H2ClF3N2O2/c7-5-11-2(4(13)14)1-3(12-5)6(8,9)10/h1H,(H,13,14)
InChIKeyNRCWKOWKCBXOBR-UHFFFAOYSA-N
XLogP1.85
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.54
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(trifluoromethyl)pyrimidine-4-carboxylic acid (CID 10775652) is 2-chloro-6-(trifluoromethyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(trifluoromethyl)pyrimidine-4-carboxylic acid is O=C(O)c1cc(C(F)(F)F)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The InChIKey is NRCWKOWKCBXOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF3N2O2/c7-5-11-2(4(13)14)1-3(12-5)6(8,9)10/h1H,(H,13,14).
What are the key properties of 2-chloro-6-(trifluoromethyl)pyrimidine-4-carboxylic acid?
2-chloro-6-(trifluoromethyl)pyrimidine-4-carboxylic acid has a molecular weight of 226.54 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(trifluoromethyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 10775652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).