3-chloro-5-[(dimethylamino)methyl]pyridine-2-carboxylic acid;hydrochloride

C9H12Cl2N2O2 — CID 155338745

IUPAC3-chloro-5-[(dimethylamino)methyl]pyridine-2-carboxylic acid;hydrochloride
SMILESCN(C)Cc1cnc(C(=O)O)c(Cl)c1.Cl
InChIInChI=1S/C9H11ClN2O2.ClH/c1-12(2)5-6-3-7(10)8(9(13)14)11-4-6;/h3-4H,5H2,1-2H3,(H,13,14);1H
InChIKeyHLVOWSZLHIXNPD-UHFFFAOYSA-N
MW251.11 g/mol
LogP1.92
Rot. Bonds3

About 3-chloro-5-[(dimethylamino)methyl]pyridine-2-carboxylic acid;hydrochloride

3-chloro-5-[(dimethylamino)methyl]pyridine-2-carboxylic acid;hydrochloride (PubChem CID 155338745) has the molecular formula C9H12Cl2N2O2 and a molecular weight of 251.11 g/mol. Its IUPAC name is 3-chloro-5-[(dimethylamino)methyl]pyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-chloro-5-[(dimethylamino)methyl]pyridine-2-carboxylic acid;hydrochloride
PubChem CID155338745
Molecular FormulaC9H12Cl2N2O2
Molecular Weight251.11 g/mol
Exact Mass250.03
IUPAC Name3-chloro-5-[(dimethylamino)methyl]pyridine-2-carboxylic acid;hydrochloride
SMILESCN(C)Cc1cnc(C(=O)O)c(Cl)c1.Cl
InChIInChI=1S/C9H11ClN2O2.ClH/c1-12(2)5-6-3-7(10)8(9(13)14)11-4-6;/h3-4H,5H2,1-2H3,(H,13,14);1H
InChIKeyHLVOWSZLHIXNPD-UHFFFAOYSA-N
XLogP1.92
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(dimethylamino)methyl]pyridine-2-carboxylic acid;hydrochloride?
The IUPAC name of 3-chloro-5-[(dimethylamino)methyl]pyridine-2-carboxylic acid;hydrochloride (CID 155338745) is 3-chloro-5-[(dimethylamino)methyl]pyridine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-chloro-5-[(dimethylamino)methyl]pyridine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 3-chloro-5-[(dimethylamino)methyl]pyridine-2-carboxylic acid;hydrochloride is CN(C)Cc1cnc(C(=O)O)c(Cl)c1.Cl.
What is the InChIKey of 3-chloro-5-[(dimethylamino)methyl]pyridine-2-carboxylic acid;hydrochloride?
The InChIKey is HLVOWSZLHIXNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2.ClH/c1-12(2)5-6-3-7(10)8(9(13)14)11-4-6;/h3-4H,5H2,1-2H3,(H,13,14);1H.
What are the key properties of 3-chloro-5-[(dimethylamino)methyl]pyridine-2-carboxylic acid;hydrochloride?
3-chloro-5-[(dimethylamino)methyl]pyridine-2-carboxylic acid;hydrochloride has a molecular weight of 251.11 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(dimethylamino)methyl]pyridine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 155338745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).