2-(dimethylamino)pyridine-4-carboxylic acid;hydrochloride

C8H11ClN2O2 — CID 54592810

IUPAC2-(dimethylamino)pyridine-4-carboxylic acid;hydrochloride
SMILESCN(C)c1cc(C(=O)O)ccn1.Cl
InChIInChI=1S/C8H10N2O2.ClH/c1-10(2)7-5-6(8(11)12)3-4-9-7;/h3-5H,1-2H3,(H,11,12);1H
InChIKeyXJHZBFRSLCFOJF-UHFFFAOYSA-N
MW202.64 g/mol
LogP1.27
Rot. Bonds2

About 2-(dimethylamino)pyridine-4-carboxylic acid;hydrochloride

2-(dimethylamino)pyridine-4-carboxylic acid;hydrochloride (PubChem CID 54592810) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 2-(dimethylamino)pyridine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)pyridine-4-carboxylic acid;hydrochloride
PubChem CID54592810
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name2-(dimethylamino)pyridine-4-carboxylic acid;hydrochloride
SMILESCN(C)c1cc(C(=O)O)ccn1.Cl
InChIInChI=1S/C8H10N2O2.ClH/c1-10(2)7-5-6(8(11)12)3-4-9-7;/h3-5H,1-2H3,(H,11,12);1H
InChIKeyXJHZBFRSLCFOJF-UHFFFAOYSA-N
XLogP1.27
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Isonicotinic Acid
CID 5922
2-Aminonicotinic acid
CID 72930
6-Aminonicotinic acid
CID 18496
4-Pyridinecarboxylic acid, 1-oxide
CID 26130
6-(Dimethylamino)-3-pyridinecarboxylic acid
CID 99209
Methyl 2-aminopyridine-4-carboxylate
CID 236984
6-[(Propan-2-yl)amino]pyridine-3-carboxylic acid
CID 28400003
2-Aminopyridine-4-carboxylic acid
CID 278396
Ethyl 2-aminopyridine-4-carboxylate
CID 7015521
6-Amino-4-methylnicotinic acid
CID 9964149
6-(Methylamino)pyridine-3-carboxylic acid
CID 22271415
3-Methyl-isonicotinic acid
CID 1502003

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)pyridine-4-carboxylic acid;hydrochloride?
The IUPAC name of 2-(dimethylamino)pyridine-4-carboxylic acid;hydrochloride (CID 54592810) is 2-(dimethylamino)pyridine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)pyridine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 2-(dimethylamino)pyridine-4-carboxylic acid;hydrochloride is CN(C)c1cc(C(=O)O)ccn1.Cl.
What is the InChIKey of 2-(dimethylamino)pyridine-4-carboxylic acid;hydrochloride?
The InChIKey is XJHZBFRSLCFOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.ClH/c1-10(2)7-5-6(8(11)12)3-4-9-7;/h3-5H,1-2H3,(H,11,12);1H.
What are the key properties of 2-(dimethylamino)pyridine-4-carboxylic acid;hydrochloride?
2-(dimethylamino)pyridine-4-carboxylic acid;hydrochloride has a molecular weight of 202.64 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)pyridine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 54592810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).