2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid

C10H11ClN2O2 — CID 114617465

IUPAC2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
SMILESC=C(C)CNc1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C10H11ClN2O2/c1-6(2)5-12-9-4-7(10(14)15)3-8(11)13-9/h3-4H,1,5H2,2H3,(H,12,13)(H,14,15)
InChIKeySXWQHOXIXFJOPX-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.42
Rot. Bonds4

About 2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid

2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid (PubChem CID 114617465) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
PubChem CID114617465
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
SMILESC=C(C)CNc1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C10H11ClN2O2/c1-6(2)5-12-9-4-7(10(14)15)3-8(11)13-9/h3-4H,1,5H2,2H3,(H,12,13)(H,14,15)
InChIKeySXWQHOXIXFJOPX-UHFFFAOYSA-N
XLogP2.42
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 43568560
2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carbonitrile
CID 106196714
2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114617456
2-chloro-6-(2,4,4-trimethylpentan-2-ylamino)pyridine-4-carboxylic acid
CID 63538354
2-[(3-amino-3-oxopropyl)amino]-6-chloropyridine-4-carboxylic acid
CID 43553797
2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carboxylic acid
CID 43343670
2-chloro-6-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid
CID 43546272
2-chloro-6-[3-(dimethylamino)propylamino]pyridine-4-carboxylic acid
CID 43166600
2-chloro-6-[(2-oxo-2-piperazin-1-ylethyl)amino]pyridine-4-carboxylic acid
CID 61404434
2-[(4-amino-4-oxobutyl)amino]-6-chloropyridine-4-carboxylic acid
CID 60864506
2-chloro-6-(2-sulfamoylethylamino)pyridine-4-carboxylic acid
CID 43552562
2-chloro-6-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid
CID 106248046

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid (CID 114617465) is 2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid is C=C(C)CNc1cc(C(=O)O)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid?
The InChIKey is SXWQHOXIXFJOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-6(2)5-12-9-4-7(10(14)15)3-8(11)13-9/h3-4H,1,5H2,2H3,(H,12,13)(H,14,15).
What are the key properties of 2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid?
2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid has a molecular weight of 226.66 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 114617465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).