2-chloro-6-[furan-3-ylmethyl(methyl)amino]pyridine-4-carboxylic acid

C12H11ClN2O3 — CID 61422213

IUPAC2-chloro-6-[furan-3-ylmethyl(methyl)amino]pyridine-4-carboxylic acid
SMILESCN(Cc1ccoc1)c1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C12H11ClN2O3/c1-15(6-8-2-3-18-7-8)11-5-9(12(16)17)4-10(13)14-11/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyMOOHYQSLYNLXBO-UHFFFAOYSA-N
MW266.68 g/mol
LogP2.66
Rot. Bonds4

About 2-chloro-6-[furan-3-ylmethyl(methyl)amino]pyridine-4-carboxylic acid

2-chloro-6-[furan-3-ylmethyl(methyl)amino]pyridine-4-carboxylic acid (PubChem CID 61422213) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 2-chloro-6-[furan-3-ylmethyl(methyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[furan-3-ylmethyl(methyl)amino]pyridine-4-carboxylic acid
PubChem CID61422213
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name2-chloro-6-[furan-3-ylmethyl(methyl)amino]pyridine-4-carboxylic acid
SMILESCN(Cc1ccoc1)c1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C12H11ClN2O3/c1-15(6-8-2-3-18-7-8)11-5-9(12(16)17)4-10(13)14-11/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyMOOHYQSLYNLXBO-UHFFFAOYSA-N
XLogP2.66
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-chloro-6-[furan-3-ylmethyl(methyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[furan-3-ylmethyl(methyl)amino]pyridine-4-carboxylic acid (CID 61422213) is 2-chloro-6-[furan-3-ylmethyl(methyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[furan-3-ylmethyl(methyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[furan-3-ylmethyl(methyl)amino]pyridine-4-carboxylic acid is CN(Cc1ccoc1)c1cc(C(=O)O)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[furan-3-ylmethyl(methyl)amino]pyridine-4-carboxylic acid?
The InChIKey is MOOHYQSLYNLXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-15(6-8-2-3-18-7-8)11-5-9(12(16)17)4-10(13)14-11/h2-5,7H,6H2,1H3,(H,16,17).
What are the key properties of 2-chloro-6-[furan-3-ylmethyl(methyl)amino]pyridine-4-carboxylic acid?
2-chloro-6-[furan-3-ylmethyl(methyl)amino]pyridine-4-carboxylic acid has a molecular weight of 266.68 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[furan-3-ylmethyl(methyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 61422213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).