6-chloro-2-[methyl(pentyl)amino]pyridine-3-carboxylic acid

C12H17ClN2O2 — CID 63380325

IUPAC6-chloro-2-[methyl(pentyl)amino]pyridine-3-carboxylic acid
SMILESCCCCCN(C)c1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C12H17ClN2O2/c1-3-4-5-8-15(2)11-9(12(16)17)6-7-10(13)14-11/h6-7H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyOUVGSWODEGYRDH-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.06
Rot. Bonds6

About 6-chloro-2-[methyl(pentyl)amino]pyridine-3-carboxylic acid

6-chloro-2-[methyl(pentyl)amino]pyridine-3-carboxylic acid (PubChem CID 63380325) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 6-chloro-2-[methyl(pentyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[methyl(pentyl)amino]pyridine-3-carboxylic acid
PubChem CID63380325
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name6-chloro-2-[methyl(pentyl)amino]pyridine-3-carboxylic acid
SMILESCCCCCN(C)c1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C12H17ClN2O2/c1-3-4-5-8-15(2)11-9(12(16)17)6-7-10(13)14-11/h6-7H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyOUVGSWODEGYRDH-UHFFFAOYSA-N
XLogP3.06
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[methyl(pentyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-[methyl(pentyl)amino]pyridine-3-carboxylic acid (CID 63380325) is 6-chloro-2-[methyl(pentyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[methyl(pentyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-[methyl(pentyl)amino]pyridine-3-carboxylic acid is CCCCCN(C)c1nc(Cl)ccc1C(=O)O.
What is the InChIKey of 6-chloro-2-[methyl(pentyl)amino]pyridine-3-carboxylic acid?
The InChIKey is OUVGSWODEGYRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-3-4-5-8-15(2)11-9(12(16)17)6-7-10(13)14-11/h6-7H,3-5,8H2,1-2H3,(H,16,17).
What are the key properties of 6-chloro-2-[methyl(pentyl)amino]pyridine-3-carboxylic acid?
6-chloro-2-[methyl(pentyl)amino]pyridine-3-carboxylic acid has a molecular weight of 256.73 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[methyl(pentyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63380325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).