2-(2,3-difluorophenyl)-2H-pyrimidine-1-carboxamide

C11H9F2N3O — CID 22065977

IUPAC2-(2,3-difluorophenyl)-2H-pyrimidine-1-carboxamide
SMILESNC(=O)N1C=CC=NC1c1cccc(F)c1F
InChIInChI=1S/C11H9F2N3O/c12-8-4-1-3-7(9(8)13)10-15-5-2-6-16(10)11(14)17/h1-6,10H,(H2,14,17)
InChIKeyHSXACDUAINXWEB-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.94
Rot. Bonds1

About 2-(2,3-difluorophenyl)-2H-pyrimidine-1-carboxamide

2-(2,3-difluorophenyl)-2H-pyrimidine-1-carboxamide (PubChem CID 22065977) has the molecular formula C11H9F2N3O and a molecular weight of 237.21 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-2H-pyrimidine-1-carboxamide.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-2H-pyrimidine-1-carboxamide
PubChem CID22065977
Molecular FormulaC11H9F2N3O
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name2-(2,3-difluorophenyl)-2H-pyrimidine-1-carboxamide
SMILESNC(=O)N1C=CC=NC1c1cccc(F)c1F
InChIInChI=1S/C11H9F2N3O/c12-8-4-1-3-7(9(8)13)10-15-5-2-6-16(10)11(14)17/h1-6,10H,(H2,14,17)
InChIKeyHSXACDUAINXWEB-UHFFFAOYSA-N
XLogP1.94
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-2H-pyrimidine-1-carboxamide?
The IUPAC name of 2-(2,3-difluorophenyl)-2H-pyrimidine-1-carboxamide (CID 22065977) is 2-(2,3-difluorophenyl)-2H-pyrimidine-1-carboxamide.
What is the SMILES notation for 2-(2,3-difluorophenyl)-2H-pyrimidine-1-carboxamide?
The canonical SMILES for 2-(2,3-difluorophenyl)-2H-pyrimidine-1-carboxamide is NC(=O)N1C=CC=NC1c1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-2H-pyrimidine-1-carboxamide?
The InChIKey is HSXACDUAINXWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O/c12-8-4-1-3-7(9(8)13)10-15-5-2-6-16(10)11(14)17/h1-6,10H,(H2,14,17).
What are the key properties of 2-(2,3-difluorophenyl)-2H-pyrimidine-1-carboxamide?
2-(2,3-difluorophenyl)-2H-pyrimidine-1-carboxamide has a molecular weight of 237.21 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-2H-pyrimidine-1-carboxamide is sourced from PubChem (CID 22065977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).