N-(5-bromo-2-oxo-1H-pyridin-3-yl)-6-(2-fluoroethoxy)pyrimidine-4-carboxamide

C12H10BrFN4O3 — CID 166038684

IUPACN-(5-bromo-2-oxo-1H-pyridin-3-yl)-6-(2-fluoroethoxy)pyrimidine-4-carboxamide
SMILESO=C(Nc1cc(Br)c[nH]c1=O)c1cc(OCCF)ncn1
InChIInChI=1S/C12H10BrFN4O3/c13-7-3-9(11(19)15-5-7)18-12(20)8-4-10(17-6-16-8)21-2-1-14/h3-6H,1-2H2,(H,15,19)(H,18,20)
InChIKeyXIUMCSNUVJEXNT-UHFFFAOYSA-N
MW357.14 g/mol
LogP1.53
Rot. Bonds5

About N-(5-bromo-2-oxo-1H-pyridin-3-yl)-6-(2-fluoroethoxy)pyrimidine-4-carboxamide

N-(5-bromo-2-oxo-1H-pyridin-3-yl)-6-(2-fluoroethoxy)pyrimidine-4-carboxamide (PubChem CID 166038684) has the molecular formula C12H10BrFN4O3 and a molecular weight of 357.14 g/mol. Its IUPAC name is N-(5-bromo-2-oxo-1H-pyridin-3-yl)-6-(2-fluoroethoxy)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-oxo-1H-pyridin-3-yl)-6-(2-fluoroethoxy)pyrimidine-4-carboxamide
PubChem CID166038684
Molecular FormulaC12H10BrFN4O3
Molecular Weight357.14 g/mol
Exact Mass355.99
IUPAC NameN-(5-bromo-2-oxo-1H-pyridin-3-yl)-6-(2-fluoroethoxy)pyrimidine-4-carboxamide
SMILESO=C(Nc1cc(Br)c[nH]c1=O)c1cc(OCCF)ncn1
InChIInChI=1S/C12H10BrFN4O3/c13-7-3-9(11(19)15-5-7)18-12(20)8-4-10(17-6-16-8)21-2-1-14/h3-6H,1-2H2,(H,15,19)(H,18,20)
InChIKeyXIUMCSNUVJEXNT-UHFFFAOYSA-N
XLogP1.53
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.14
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-6-(2-fluoroethoxy)pyrimidine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-6-(2-fluoroethoxy)pyrimidine-4-carboxamide (CID 166038684) is N-(5-bromo-2-oxo-1H-pyridin-3-yl)-6-(2-fluoroethoxy)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-oxo-1H-pyridin-3-yl)-6-(2-fluoroethoxy)pyrimidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-oxo-1H-pyridin-3-yl)-6-(2-fluoroethoxy)pyrimidine-4-carboxamide is O=C(Nc1cc(Br)c[nH]c1=O)c1cc(OCCF)ncn1.
What is the InChIKey of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-6-(2-fluoroethoxy)pyrimidine-4-carboxamide?
The InChIKey is XIUMCSNUVJEXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN4O3/c13-7-3-9(11(19)15-5-7)18-12(20)8-4-10(17-6-16-8)21-2-1-14/h3-6H,1-2H2,(H,15,19)(H,18,20).
What are the key properties of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-6-(2-fluoroethoxy)pyrimidine-4-carboxamide?
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-6-(2-fluoroethoxy)pyrimidine-4-carboxamide has a molecular weight of 357.14 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-oxo-1H-pyridin-3-yl)-6-(2-fluoroethoxy)pyrimidine-4-carboxamide is sourced from PubChem (CID 166038684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).