6-(tert-butylamino)-2-chloropyridine-3-carboxylic acid

C10H13ClN2O2 — CID 156695510

IUPAC6-(tert-butylamino)-2-chloropyridine-3-carboxylic acid
SMILESCC(C)(C)Nc1ccc(C(=O)O)c(Cl)n1
InChIInChI=1S/C10H13ClN2O2/c1-10(2,3)13-7-5-4-6(9(14)15)8(11)12-7/h4-5H,1-3H3,(H,12,13)(H,14,15)
InChIKeyLBQVCWDLLYXISI-UHFFFAOYSA-N
MW228.68 g/mol
LogP2.64
Rot. Bonds2

About 6-(tert-butylamino)-2-chloropyridine-3-carboxylic acid

6-(tert-butylamino)-2-chloropyridine-3-carboxylic acid (PubChem CID 156695510) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 6-(tert-butylamino)-2-chloropyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(tert-butylamino)-2-chloropyridine-3-carboxylic acid
PubChem CID156695510
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name6-(tert-butylamino)-2-chloropyridine-3-carboxylic acid
SMILESCC(C)(C)Nc1ccc(C(=O)O)c(Cl)n1
InChIInChI=1S/C10H13ClN2O2/c1-10(2,3)13-7-5-4-6(9(14)15)8(11)12-7/h4-5H,1-3H3,(H,12,13)(H,14,15)
InChIKeyLBQVCWDLLYXISI-UHFFFAOYSA-N
XLogP2.64
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid
CID 159765877
6-[[3-carboxy-3-(4,4-dimethylpentoxy)propyl]amino]-2-chloropyridine-3-carboxylic acid
CID 139389286
2-chloro-6-propan-2-yloxypyridine-3-carboxylic acid
CID 86618835
2,6-dichloropyridine-3-carboxylic acid;methanol;methyl 2,6-dichloropyridine-3-carboxylate;thionyl dichloride
CID 160688550
4-(tert-butylamino)-2-fluorobenzoic acid
CID 66789371
2-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid
CID 87426689
2-chloro-6-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 46313848
6-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 169264396
2-chloro-6-(2-hydroxyiminoethyl)pyridine-3-carboxylic acid
CID 174660968
2-(tert-butylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 165493421
6-(aminomethyl)-N-tert-butyl-5-chloropyridin-2-amine
CID 82508793
2-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid;[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 157313543

Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-2-chloropyridine-3-carboxylic acid?
The IUPAC name of 6-(tert-butylamino)-2-chloropyridine-3-carboxylic acid (CID 156695510) is 6-(tert-butylamino)-2-chloropyridine-3-carboxylic acid.
What is the SMILES notation for 6-(tert-butylamino)-2-chloropyridine-3-carboxylic acid?
The canonical SMILES for 6-(tert-butylamino)-2-chloropyridine-3-carboxylic acid is CC(C)(C)Nc1ccc(C(=O)O)c(Cl)n1.
What is the InChIKey of 6-(tert-butylamino)-2-chloropyridine-3-carboxylic acid?
The InChIKey is LBQVCWDLLYXISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-10(2,3)13-7-5-4-6(9(14)15)8(11)12-7/h4-5H,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 6-(tert-butylamino)-2-chloropyridine-3-carboxylic acid?
6-(tert-butylamino)-2-chloropyridine-3-carboxylic acid has a molecular weight of 228.68 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-2-chloropyridine-3-carboxylic acid is sourced from PubChem (CID 156695510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).