4-(difluoromethyl)-2-pyridin-4-ylpyrimidine-5-carboxylic acid

C11H7F2N3O2 — CID 62891095

IUPAC4-(difluoromethyl)-2-pyridin-4-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccncc2)nc1C(F)F
InChIInChI=1S/C11H7F2N3O2/c12-9(13)8-7(11(17)18)5-15-10(16-8)6-1-3-14-4-2-6/h1-5,9H,(H,17,18)
InChIKeyGXKNNBBBWHZPGW-UHFFFAOYSA-N
MW251.19 g/mol
LogP2.17
Rot. Bonds3

About 4-(difluoromethyl)-2-pyridin-4-ylpyrimidine-5-carboxylic acid

4-(difluoromethyl)-2-pyridin-4-ylpyrimidine-5-carboxylic acid (PubChem CID 62891095) has the molecular formula C11H7F2N3O2 and a molecular weight of 251.19 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-pyridin-4-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-2-pyridin-4-ylpyrimidine-5-carboxylic acid
PubChem CID62891095
Molecular FormulaC11H7F2N3O2
Molecular Weight251.19 g/mol
Exact Mass251.05
IUPAC Name4-(difluoromethyl)-2-pyridin-4-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccncc2)nc1C(F)F
InChIInChI=1S/C11H7F2N3O2/c12-9(13)8-7(11(17)18)5-15-10(16-8)6-1-3-14-4-2-6/h1-5,9H,(H,17,18)
InChIKeyGXKNNBBBWHZPGW-UHFFFAOYSA-N
XLogP2.17
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.19
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-pyridin-4-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-2-pyridin-4-ylpyrimidine-5-carboxylic acid (CID 62891095) is 4-(difluoromethyl)-2-pyridin-4-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-2-pyridin-4-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-2-pyridin-4-ylpyrimidine-5-carboxylic acid is O=C(O)c1cnc(-c2ccncc2)nc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-2-pyridin-4-ylpyrimidine-5-carboxylic acid?
The InChIKey is GXKNNBBBWHZPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N3O2/c12-9(13)8-7(11(17)18)5-15-10(16-8)6-1-3-14-4-2-6/h1-5,9H,(H,17,18).
What are the key properties of 4-(difluoromethyl)-2-pyridin-4-ylpyrimidine-5-carboxylic acid?
4-(difluoromethyl)-2-pyridin-4-ylpyrimidine-5-carboxylic acid has a molecular weight of 251.19 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-pyridin-4-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 62891095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).