6-(ethylamino)pyridine-3-carboxylic acid;hydrochloride

C8H11ClN2O2 — CID 154747200

IUPAC6-(ethylamino)pyridine-3-carboxylic acid;hydrochloride
SMILESCCNc1ccc(C(=O)O)cn1.Cl
InChIInChI=1S/C8H10N2O2.ClH/c1-2-9-7-4-3-6(5-10-7)8(11)12;/h3-5H,2H2,1H3,(H,9,10)(H,11,12);1H
InChIKeyZNHNRZQDXPEXDW-UHFFFAOYSA-N
MW202.64 g/mol
LogP1.63
Rot. Bonds3

About 6-(ethylamino)pyridine-3-carboxylic acid;hydrochloride

6-(ethylamino)pyridine-3-carboxylic acid;hydrochloride (PubChem CID 154747200) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 6-(ethylamino)pyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-(ethylamino)pyridine-3-carboxylic acid;hydrochloride
PubChem CID154747200
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name6-(ethylamino)pyridine-3-carboxylic acid;hydrochloride
SMILESCCNc1ccc(C(=O)O)cn1.Cl
InChIInChI=1S/C8H10N2O2.ClH/c1-2-9-7-4-3-6(5-10-7)8(11)12;/h3-5H,2H2,1H3,(H,9,10)(H,11,12);1H
InChIKeyZNHNRZQDXPEXDW-UHFFFAOYSA-N
XLogP1.63
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)pyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 6-(ethylamino)pyridine-3-carboxylic acid;hydrochloride (CID 154747200) is 6-(ethylamino)pyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-(ethylamino)pyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 6-(ethylamino)pyridine-3-carboxylic acid;hydrochloride is CCNc1ccc(C(=O)O)cn1.Cl.
What is the InChIKey of 6-(ethylamino)pyridine-3-carboxylic acid;hydrochloride?
The InChIKey is ZNHNRZQDXPEXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.ClH/c1-2-9-7-4-3-6(5-10-7)8(11)12;/h3-5H,2H2,1H3,(H,9,10)(H,11,12);1H.
What are the key properties of 6-(ethylamino)pyridine-3-carboxylic acid;hydrochloride?
6-(ethylamino)pyridine-3-carboxylic acid;hydrochloride has a molecular weight of 202.64 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)pyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 154747200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).