1-(3-fluoropropyl)-2-oxopyridine-4-carboxylic acid

C9H10FNO3 — CID 44600577

IUPAC1-(3-fluoropropyl)-2-oxopyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(CCCF)c(=O)c1
InChIInChI=1S/C9H10FNO3/c10-3-1-4-11-5-2-7(9(13)14)6-8(11)12/h2,5-6H,1,3-4H2,(H,13,14)
InChIKeyKHYPTRMYEVGNOR-UHFFFAOYSA-N
MW199.18 g/mol
LogP0.91
Rot. Bonds4

About 1-(3-fluoropropyl)-2-oxopyridine-4-carboxylic acid

1-(3-fluoropropyl)-2-oxopyridine-4-carboxylic acid (PubChem CID 44600577) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluoropropyl)-2-oxopyridine-4-carboxylic acid
PubChem CID44600577
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Name1-(3-fluoropropyl)-2-oxopyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(CCCF)c(=O)c1
InChIInChI=1S/C9H10FNO3/c10-3-1-4-11-5-2-7(9(13)14)6-8(11)12/h2,5-6H,1,3-4H2,(H,13,14)
InChIKeyKHYPTRMYEVGNOR-UHFFFAOYSA-N
XLogP0.91
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-2-oxopyridine-4-carboxylic acid?
The IUPAC name of 1-(3-fluoropropyl)-2-oxopyridine-4-carboxylic acid (CID 44600577) is 1-(3-fluoropropyl)-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 1-(3-fluoropropyl)-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 1-(3-fluoropropyl)-2-oxopyridine-4-carboxylic acid is O=C(O)c1ccn(CCCF)c(=O)c1.
What is the InChIKey of 1-(3-fluoropropyl)-2-oxopyridine-4-carboxylic acid?
The InChIKey is KHYPTRMYEVGNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3/c10-3-1-4-11-5-2-7(9(13)14)6-8(11)12/h2,5-6H,1,3-4H2,(H,13,14).
What are the key properties of 1-(3-fluoropropyl)-2-oxopyridine-4-carboxylic acid?
1-(3-fluoropropyl)-2-oxopyridine-4-carboxylic acid has a molecular weight of 199.18 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-2-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 44600577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).