1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethylcarbamic acid

C11H10FN3O3 — CID 91134737

IUPAC1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethylcarbamic acid
SMILESCC(NC(=O)O)c1cc(=O)n2cc(F)ccc2n1
InChIInChI=1S/C11H10FN3O3/c1-6(13-11(17)18)8-4-10(16)15-5-7(12)2-3-9(15)14-8/h2-6,13H,1H3,(H,17,18)
InChIKeyBLTJMUHMWKIDEN-UHFFFAOYSA-N
MW251.22 g/mol
LogP1.16
Rot. Bonds2

About 1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethylcarbamic acid

1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethylcarbamic acid (PubChem CID 91134737) has the molecular formula C11H10FN3O3 and a molecular weight of 251.22 g/mol. Its IUPAC name is 1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethylcarbamic acid.

Molecular Properties

Compound Name1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethylcarbamic acid
PubChem CID91134737
Molecular FormulaC11H10FN3O3
Molecular Weight251.22 g/mol
Exact Mass251.07
IUPAC Name1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethylcarbamic acid
SMILESCC(NC(=O)O)c1cc(=O)n2cc(F)ccc2n1
InChIInChI=1S/C11H10FN3O3/c1-6(13-11(17)18)8-4-10(16)15-5-7(12)2-3-9(15)14-8/h2-6,13H,1H3,(H,17,18)
InChIKeyBLTJMUHMWKIDEN-UHFFFAOYSA-N
XLogP1.16
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethylcarbamic acid?
The IUPAC name of 1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethylcarbamic acid (CID 91134737) is 1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethylcarbamic acid.
What is the SMILES notation for 1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethylcarbamic acid?
The canonical SMILES for 1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethylcarbamic acid is CC(NC(=O)O)c1cc(=O)n2cc(F)ccc2n1.
What is the InChIKey of 1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethylcarbamic acid?
The InChIKey is BLTJMUHMWKIDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O3/c1-6(13-11(17)18)8-4-10(16)15-5-7(12)2-3-9(15)14-8/h2-6,13H,1H3,(H,17,18).
What are the key properties of 1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethylcarbamic acid?
1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethylcarbamic acid has a molecular weight of 251.22 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethylcarbamic acid is sourced from PubChem (CID 91134737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).