6-chloro-2-(pentan-2-ylamino)pyridine-3-carboxylic acid

C11H15ClN2O2 — CID 63376636

IUPAC6-chloro-2-(pentan-2-ylamino)pyridine-3-carboxylic acid
SMILESCCCC(C)Nc1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C11H15ClN2O2/c1-3-4-7(2)13-10-8(11(15)16)5-6-9(12)14-10/h5-7H,3-4H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyRRXHSOZNWDCDDO-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.03
Rot. Bonds5

About 6-chloro-2-(pentan-2-ylamino)pyridine-3-carboxylic acid

6-chloro-2-(pentan-2-ylamino)pyridine-3-carboxylic acid (PubChem CID 63376636) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 6-chloro-2-(pentan-2-ylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(pentan-2-ylamino)pyridine-3-carboxylic acid
PubChem CID63376636
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name6-chloro-2-(pentan-2-ylamino)pyridine-3-carboxylic acid
SMILESCCCC(C)Nc1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C11H15ClN2O2/c1-3-4-7(2)13-10-8(11(15)16)5-6-9(12)14-10/h5-7H,3-4H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyRRXHSOZNWDCDDO-UHFFFAOYSA-N
XLogP3.03
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.03
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 6-chloro-2-(pentan-2-ylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-(pentan-2-ylamino)pyridine-3-carboxylic acid (CID 63376636) is 6-chloro-2-(pentan-2-ylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(pentan-2-ylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-(pentan-2-ylamino)pyridine-3-carboxylic acid is CCCC(C)Nc1nc(Cl)ccc1C(=O)O.
What is the InChIKey of 6-chloro-2-(pentan-2-ylamino)pyridine-3-carboxylic acid?
The InChIKey is RRXHSOZNWDCDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-3-4-7(2)13-10-8(11(15)16)5-6-9(12)14-10/h5-7H,3-4H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 6-chloro-2-(pentan-2-ylamino)pyridine-3-carboxylic acid?
6-chloro-2-(pentan-2-ylamino)pyridine-3-carboxylic acid has a molecular weight of 242.71 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(pentan-2-ylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 63376636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).