3-amino-6-chloro-4-cyclopropyl-5-methylpyridine-2-carboxylic acid

C10H11ClN2O2 — CID 174666918

IUPAC3-amino-6-chloro-4-cyclopropyl-5-methylpyridine-2-carboxylic acid
SMILESCc1c(Cl)nc(C(=O)O)c(N)c1C1CC1
InChIInChI=1S/C10H11ClN2O2/c1-4-6(5-2-3-5)7(12)8(10(14)15)13-9(4)11/h5H,2-3,12H2,1H3,(H,14,15)
InChIKeyQEUQXBQUYAPCNF-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.20
Rot. Bonds2

About 3-amino-6-chloro-4-cyclopropyl-5-methylpyridine-2-carboxylic acid

3-amino-6-chloro-4-cyclopropyl-5-methylpyridine-2-carboxylic acid (PubChem CID 174666918) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 3-amino-6-chloro-4-cyclopropyl-5-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-chloro-4-cyclopropyl-5-methylpyridine-2-carboxylic acid
PubChem CID174666918
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name3-amino-6-chloro-4-cyclopropyl-5-methylpyridine-2-carboxylic acid
SMILESCc1c(Cl)nc(C(=O)O)c(N)c1C1CC1
InChIInChI=1S/C10H11ClN2O2/c1-4-6(5-2-3-5)7(12)8(10(14)15)13-9(4)11/h5H,2-3,12H2,1H3,(H,14,15)
InChIKeyQEUQXBQUYAPCNF-UHFFFAOYSA-N
XLogP2.20
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.20
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-4-cyclopropyl-5-methylpyridine-2-carboxylic acid?
The IUPAC name of 3-amino-6-chloro-4-cyclopropyl-5-methylpyridine-2-carboxylic acid (CID 174666918) is 3-amino-6-chloro-4-cyclopropyl-5-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-chloro-4-cyclopropyl-5-methylpyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-chloro-4-cyclopropyl-5-methylpyridine-2-carboxylic acid is Cc1c(Cl)nc(C(=O)O)c(N)c1C1CC1.
What is the InChIKey of 3-amino-6-chloro-4-cyclopropyl-5-methylpyridine-2-carboxylic acid?
The InChIKey is QEUQXBQUYAPCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-4-6(5-2-3-5)7(12)8(10(14)15)13-9(4)11/h5H,2-3,12H2,1H3,(H,14,15).
What are the key properties of 3-amino-6-chloro-4-cyclopropyl-5-methylpyridine-2-carboxylic acid?
3-amino-6-chloro-4-cyclopropyl-5-methylpyridine-2-carboxylic acid has a molecular weight of 226.66 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-4-cyclopropyl-5-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 174666918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).