[4-chloro-3-fluoro-2-(6-oxo-1H-pyrimidin-4-yl)phenyl]carbamic acid

C11H7ClFN3O3 — CID 136969585

IUPAC[4-chloro-3-fluoro-2-(6-oxo-1H-pyrimidin-4-yl)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(Cl)c(F)c1-c1cc(=O)[nH]cn1
InChIInChI=1S/C11H7ClFN3O3/c12-5-1-2-6(16-11(18)19)9(10(5)13)7-3-8(17)15-4-14-7/h1-4,16H,(H,18,19)(H,14,15,17)
InChIKeyHCZLRODUOONWMR-UHFFFAOYSA-N
MW283.65 g/mol
LogP2.32
Rot. Bonds2

About [4-chloro-3-fluoro-2-(6-oxo-1H-pyrimidin-4-yl)phenyl]carbamic acid

[4-chloro-3-fluoro-2-(6-oxo-1H-pyrimidin-4-yl)phenyl]carbamic acid (PubChem CID 136969585) has the molecular formula C11H7ClFN3O3 and a molecular weight of 283.65 g/mol. Its IUPAC name is [4-chloro-3-fluoro-2-(6-oxo-1H-pyrimidin-4-yl)phenyl]carbamic acid.

Molecular Properties

Compound Name[4-chloro-3-fluoro-2-(6-oxo-1H-pyrimidin-4-yl)phenyl]carbamic acid
PubChem CID136969585
Molecular FormulaC11H7ClFN3O3
Molecular Weight283.65 g/mol
Exact Mass283.02
IUPAC Name[4-chloro-3-fluoro-2-(6-oxo-1H-pyrimidin-4-yl)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(Cl)c(F)c1-c1cc(=O)[nH]cn1
InChIInChI=1S/C11H7ClFN3O3/c12-5-1-2-6(16-11(18)19)9(10(5)13)7-3-8(17)15-4-14-7/h1-4,16H,(H,18,19)(H,14,15,17)
InChIKeyHCZLRODUOONWMR-UHFFFAOYSA-N
XLogP2.32
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.65
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-fluoro-2-(6-oxo-1H-pyrimidin-4-yl)phenyl]carbamic acid?
The IUPAC name of [4-chloro-3-fluoro-2-(6-oxo-1H-pyrimidin-4-yl)phenyl]carbamic acid (CID 136969585) is [4-chloro-3-fluoro-2-(6-oxo-1H-pyrimidin-4-yl)phenyl]carbamic acid.
What is the SMILES notation for [4-chloro-3-fluoro-2-(6-oxo-1H-pyrimidin-4-yl)phenyl]carbamic acid?
The canonical SMILES for [4-chloro-3-fluoro-2-(6-oxo-1H-pyrimidin-4-yl)phenyl]carbamic acid is O=C(O)Nc1ccc(Cl)c(F)c1-c1cc(=O)[nH]cn1.
What is the InChIKey of [4-chloro-3-fluoro-2-(6-oxo-1H-pyrimidin-4-yl)phenyl]carbamic acid?
The InChIKey is HCZLRODUOONWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN3O3/c12-5-1-2-6(16-11(18)19)9(10(5)13)7-3-8(17)15-4-14-7/h1-4,16H,(H,18,19)(H,14,15,17).
What are the key properties of [4-chloro-3-fluoro-2-(6-oxo-1H-pyrimidin-4-yl)phenyl]carbamic acid?
[4-chloro-3-fluoro-2-(6-oxo-1H-pyrimidin-4-yl)phenyl]carbamic acid has a molecular weight of 283.65 g/mol, XLogP of 2.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-fluoro-2-(6-oxo-1H-pyrimidin-4-yl)phenyl]carbamic acid is sourced from PubChem (CID 136969585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).