6-(hex-5-ynylamino)pyridine-2-carboxylic acid

C12H14N2O2 — CID 106213743

IUPAC6-(hex-5-ynylamino)pyridine-2-carboxylic acid
SMILESC#CCCCCNc1cccc(C(=O)O)n1
InChIInChI=1S/C12H14N2O2/c1-2-3-4-5-9-13-11-8-6-7-10(14-11)12(15)16/h1,6-8H,3-5,9H2,(H,13,14)(H,15,16)
InChIKeyRVELHGXSMDMWKL-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.00
Rot. Bonds6

About 6-(hex-5-ynylamino)pyridine-2-carboxylic acid

6-(hex-5-ynylamino)pyridine-2-carboxylic acid (PubChem CID 106213743) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 6-(hex-5-ynylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(hex-5-ynylamino)pyridine-2-carboxylic acid
PubChem CID106213743
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name6-(hex-5-ynylamino)pyridine-2-carboxylic acid
SMILESC#CCCCCNc1cccc(C(=O)O)n1
InChIInChI=1S/C12H14N2O2/c1-2-3-4-5-9-13-11-8-6-7-10(14-11)12(15)16/h1,6-8H,3-5,9H2,(H,13,14)(H,15,16)
InChIKeyRVELHGXSMDMWKL-UHFFFAOYSA-N
XLogP2.00
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.00
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

6-(3-cyanopropylamino)pyridine-2-carboxylic acid
CID 122050966
6-(hex-5-ynylamino)pyridazine-3-carboxylic acid
CID 106213762
6-(5,5,5-trifluoropentylamino)pyridine-2-carboxylic acid
CID 115520118
6-(3-phenoxypropylamino)pyridine-2-carboxylic acid
CID 62380614
6-(4-hydroxyhexylamino)pyridine-2-carboxylic acid
CID 122053976
6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylic acid
CID 122052680
6-[[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 62239044
6-[(5-hydroxy-3-methylpentyl)amino]pyridine-2-carboxylic acid
CID 122057794
6-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-2-carboxylic acid
CID 122054050
6-(hex-5-ynylamino)pyridazine-3-carboxamide
CID 103757420
2-chloro-6-(hex-5-ynylamino)pyridine-4-carboxylic acid
CID 106213782
1-[6-(pentylamino)-2-pyridinyl]ethanone
CID 68551808

Frequently Asked Questions

What is the IUPAC name of 6-(hex-5-ynylamino)pyridine-2-carboxylic acid?
The IUPAC name of 6-(hex-5-ynylamino)pyridine-2-carboxylic acid (CID 106213743) is 6-(hex-5-ynylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(hex-5-ynylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(hex-5-ynylamino)pyridine-2-carboxylic acid is C#CCCCCNc1cccc(C(=O)O)n1.
What is the InChIKey of 6-(hex-5-ynylamino)pyridine-2-carboxylic acid?
The InChIKey is RVELHGXSMDMWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-3-4-5-9-13-11-8-6-7-10(14-11)12(15)16/h1,6-8H,3-5,9H2,(H,13,14)(H,15,16).
What are the key properties of 6-(hex-5-ynylamino)pyridine-2-carboxylic acid?
6-(hex-5-ynylamino)pyridine-2-carboxylic acid has a molecular weight of 218.26 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hex-5-ynylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 106213743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).