5-chloro-2-(2-ethoxyethylamino)pyridine-3-carboxylic acid;2-ethoxyethanol

C14H23ClN2O5 — CID 157290725

IUPAC5-chloro-2-(2-ethoxyethylamino)pyridine-3-carboxylic acid;2-ethoxyethanol
SMILESCCOCCNc1ncc(Cl)cc1C(=O)O.CCOCCO
InChIInChI=1S/C10H13ClN2O3.C4H10O2/c1-2-16-4-3-12-9-8(10(14)15)5-7(11)6-13-9;1-2-6-4-3-5/h5-6H,2-4H2,1H3,(H,12,13)(H,14,15);5H,2-4H2,1H3
InChIKeyBATQQTUYTRLILY-UHFFFAOYSA-N
MW334.80 g/mol
LogP1.90
Rot. Bonds9

About 5-chloro-2-(2-ethoxyethylamino)pyridine-3-carboxylic acid;2-ethoxyethanol

5-chloro-2-(2-ethoxyethylamino)pyridine-3-carboxylic acid;2-ethoxyethanol (PubChem CID 157290725) has the molecular formula C14H23ClN2O5 and a molecular weight of 334.80 g/mol. Its IUPAC name is 5-chloro-2-(2-ethoxyethylamino)pyridine-3-carboxylic acid;2-ethoxyethanol.

Molecular Properties

Compound Name5-chloro-2-(2-ethoxyethylamino)pyridine-3-carboxylic acid;2-ethoxyethanol
PubChem CID157290725
Molecular FormulaC14H23ClN2O5
Molecular Weight334.80 g/mol
Exact Mass334.13
IUPAC Name5-chloro-2-(2-ethoxyethylamino)pyridine-3-carboxylic acid;2-ethoxyethanol
SMILESCCOCCNc1ncc(Cl)cc1C(=O)O.CCOCCO
InChIInChI=1S/C10H13ClN2O3.C4H10O2/c1-2-16-4-3-12-9-8(10(14)15)5-7(11)6-13-9;1-2-6-4-3-5/h5-6H,2-4H2,1H3,(H,12,13)(H,14,15);5H,2-4H2,1H3
InChIKeyBATQQTUYTRLILY-UHFFFAOYSA-N
XLogP1.90
TPSA100.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-ethoxyethylamino)pyridine-3-carboxylic acid;2-ethoxyethanol?
The IUPAC name of 5-chloro-2-(2-ethoxyethylamino)pyridine-3-carboxylic acid;2-ethoxyethanol (CID 157290725) is 5-chloro-2-(2-ethoxyethylamino)pyridine-3-carboxylic acid;2-ethoxyethanol.
What is the SMILES notation for 5-chloro-2-(2-ethoxyethylamino)pyridine-3-carboxylic acid;2-ethoxyethanol?
The canonical SMILES for 5-chloro-2-(2-ethoxyethylamino)pyridine-3-carboxylic acid;2-ethoxyethanol is CCOCCNc1ncc(Cl)cc1C(=O)O.CCOCCO.
What is the InChIKey of 5-chloro-2-(2-ethoxyethylamino)pyridine-3-carboxylic acid;2-ethoxyethanol?
The InChIKey is BATQQTUYTRLILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3.C4H10O2/c1-2-16-4-3-12-9-8(10(14)15)5-7(11)6-13-9;1-2-6-4-3-5/h5-6H,2-4H2,1H3,(H,12,13)(H,14,15);5H,2-4H2,1H3.
What are the key properties of 5-chloro-2-(2-ethoxyethylamino)pyridine-3-carboxylic acid;2-ethoxyethanol?
5-chloro-2-(2-ethoxyethylamino)pyridine-3-carboxylic acid;2-ethoxyethanol has a molecular weight of 334.80 g/mol, XLogP of 1.90, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-ethoxyethylamino)pyridine-3-carboxylic acid;2-ethoxyethanol is sourced from PubChem (CID 157290725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).