5-fluoro-6-(pent-4-ynylamino)pyridine-3-carboxylic acid

C11H11FN2O2 — CID 167858125

IUPAC5-fluoro-6-(pent-4-ynylamino)pyridine-3-carboxylic acid
SMILESC#CCCCNc1ncc(C(=O)O)cc1F
InChIInChI=1S/C11H11FN2O2/c1-2-3-4-5-13-10-9(12)6-8(7-14-10)11(15)16/h1,6-7H,3-5H2,(H,13,14)(H,15,16)
InChIKeyHVFGPJYURSULCX-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.74
Rot. Bonds5

About 5-fluoro-6-(pent-4-ynylamino)pyridine-3-carboxylic acid

5-fluoro-6-(pent-4-ynylamino)pyridine-3-carboxylic acid (PubChem CID 167858125) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 5-fluoro-6-(pent-4-ynylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-6-(pent-4-ynylamino)pyridine-3-carboxylic acid
PubChem CID167858125
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name5-fluoro-6-(pent-4-ynylamino)pyridine-3-carboxylic acid
SMILESC#CCCCNc1ncc(C(=O)O)cc1F
InChIInChI=1S/C11H11FN2O2/c1-2-3-4-5-13-10-9(12)6-8(7-14-10)11(15)16/h1,6-7H,3-5H2,(H,13,14)(H,15,16)
InChIKeyHVFGPJYURSULCX-UHFFFAOYSA-N
XLogP1.74
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3,5,6-trifluoro-N-pent-4-ynylpyridin-2-amine
CID 106223086
5-(pent-4-ynylcarbamoylamino)pyridine-3-carboxylic acid
CID 106222767
2-chloro-6-(pent-4-ynylamino)pyridine-4-carboxylic acid
CID 106222382
5-amino-6-(3-methylsulfonylpropylamino)pyridine-3-carboxylic acid
CID 81439673
3,4,5-trifluoro-N-pent-4-ynylbenzamide
CID 103708893
N-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine
CID 103704435
2-fluoro-4-(hex-5-ynylamino)benzoic acid
CID 106216760
5-amino-6-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid
CID 81439291
6-(2-aminoethylamino)-5-nitropyridine-3-carboxylic acid
CID 81437835
4-fluoro-2-nitro-5-(pent-4-ynylamino)benzoic acid
CID 106222401
6-[(5-amino-5-oxopentyl)amino]-5-nitropyridine-3-carboxylic acid
CID 106237764
2-chloro-6-(hex-5-ynylamino)pyridine-4-carboxylic acid
CID 106213782

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(pent-4-ynylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-fluoro-6-(pent-4-ynylamino)pyridine-3-carboxylic acid (CID 167858125) is 5-fluoro-6-(pent-4-ynylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-6-(pent-4-ynylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-6-(pent-4-ynylamino)pyridine-3-carboxylic acid is C#CCCCNc1ncc(C(=O)O)cc1F.
What is the InChIKey of 5-fluoro-6-(pent-4-ynylamino)pyridine-3-carboxylic acid?
The InChIKey is HVFGPJYURSULCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-2-3-4-5-13-10-9(12)6-8(7-14-10)11(15)16/h1,6-7H,3-5H2,(H,13,14)(H,15,16).
What are the key properties of 5-fluoro-6-(pent-4-ynylamino)pyridine-3-carboxylic acid?
5-fluoro-6-(pent-4-ynylamino)pyridine-3-carboxylic acid has a molecular weight of 222.22 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(pent-4-ynylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 167858125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).