4-(difluoromethyl)-2-methylpyrimidine-5-carboxylic acid

C7H6F2N2O2 — CID 58542530

IUPAC4-(difluoromethyl)-2-methylpyrimidine-5-carboxylic acid
SMILESCc1ncc(C(=O)O)c(C(F)F)n1
InChIInChI=1S/C7H6F2N2O2/c1-3-10-2-4(7(12)13)5(11-3)6(8)9/h2,6H,1H3,(H,12,13)
InChIKeyVXRXWCODBNDLTM-UHFFFAOYSA-N
MW188.13 g/mol
LogP1.42
Rot. Bonds2

About 4-(difluoromethyl)-2-methylpyrimidine-5-carboxylic acid

4-(difluoromethyl)-2-methylpyrimidine-5-carboxylic acid (PubChem CID 58542530) has the molecular formula C7H6F2N2O2 and a molecular weight of 188.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-2-methylpyrimidine-5-carboxylic acid
PubChem CID58542530
Molecular FormulaC7H6F2N2O2
Molecular Weight188.13 g/mol
Exact Mass188.04
IUPAC Name4-(difluoromethyl)-2-methylpyrimidine-5-carboxylic acid
SMILESCc1ncc(C(=O)O)c(C(F)F)n1
InChIInChI=1S/C7H6F2N2O2/c1-3-10-2-4(7(12)13)5(11-3)6(8)9/h2,6H,1H3,(H,12,13)
InChIKeyVXRXWCODBNDLTM-UHFFFAOYSA-N
XLogP1.42
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.13
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-2-methylpyrimidine-5-carboxylic acid (CID 58542530) is 4-(difluoromethyl)-2-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-2-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-2-methylpyrimidine-5-carboxylic acid is Cc1ncc(C(=O)O)c(C(F)F)n1.
What is the InChIKey of 4-(difluoromethyl)-2-methylpyrimidine-5-carboxylic acid?
The InChIKey is VXRXWCODBNDLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O2/c1-3-10-2-4(7(12)13)5(11-3)6(8)9/h2,6H,1H3,(H,12,13).
What are the key properties of 4-(difluoromethyl)-2-methylpyrimidine-5-carboxylic acid?
4-(difluoromethyl)-2-methylpyrimidine-5-carboxylic acid has a molecular weight of 188.13 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 58542530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).