2-chloro-6-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid

C11H16ClN3O2 — CID 82939267

IUPAC2-chloro-6-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid
SMILESCC(CN(C)C)Nc1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C11H16ClN3O2/c1-7(6-15(2)3)13-10-5-8(11(16)17)4-9(12)14-10/h4-5,7H,6H2,1-3H3,(H,13,14)(H,16,17)
InChIKeyUEXNVLFEZIHFRC-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.80
Rot. Bonds5

About 2-chloro-6-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid

2-chloro-6-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid (PubChem CID 82939267) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-chloro-6-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid
PubChem CID82939267
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name2-chloro-6-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid
SMILESCC(CN(C)C)Nc1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C11H16ClN3O2/c1-7(6-15(2)3)13-10-5-8(11(16)17)4-9(12)14-10/h4-5,7H,6H2,1-3H3,(H,13,14)(H,16,17)
InChIKeyUEXNVLFEZIHFRC-UHFFFAOYSA-N
XLogP1.80
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(butan-2-ylamino)-6-chloropyridine-4-carboxylic acid
CID 21430349
2-chloro-6-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid
CID 114131107
2-chloro-6-[3-(dimethylamino)propylamino]pyridine-4-carboxylic acid
CID 43166600
2-(but-3-yn-2-ylamino)-6-chloropyridine-4-carboxylic acid
CID 114417592
2-chloro-6-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 65048396
2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-chloropyridine-4-carboxylic acid
CID 114176382
2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carboxylic acid
CID 43533609
2-chloro-6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 114152086
2-chloro-6-(1-cyclohexylethylamino)pyridine-4-carboxylic acid
CID 63538856
2-chloro-6-(1-phenylpropylamino)pyridine-4-carboxylic acid
CID 62305582
2-chloro-6-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-4-carboxylic acid
CID 61477326
5-[1-(dimethylamino)propan-2-ylamino]pyrazine-2-carboxylic acid
CID 82949530

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid (CID 82939267) is 2-chloro-6-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid is CC(CN(C)C)Nc1cc(C(=O)O)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid?
The InChIKey is UEXNVLFEZIHFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-7(6-15(2)3)13-10-5-8(11(16)17)4-9(12)14-10/h4-5,7H,6H2,1-3H3,(H,13,14)(H,16,17).
What are the key properties of 2-chloro-6-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid?
2-chloro-6-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid has a molecular weight of 257.72 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 82939267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).