5-chloro-3-[2-(dimethylamino)acetyl]pyridine-2-carboxylic acid

C10H11ClN2O3 — CID 170895849

IUPAC5-chloro-3-[2-(dimethylamino)acetyl]pyridine-2-carboxylic acid
SMILESCN(C)CC(=O)c1cc(Cl)cnc1C(=O)O
InChIInChI=1S/C10H11ClN2O3/c1-13(2)5-8(14)7-3-6(11)4-12-9(7)10(15)16/h3-4H,5H2,1-2H3,(H,15,16)
InChIKeyVMWFVACSYNUVJH-UHFFFAOYSA-N
MW242.66 g/mol
LogP1.18
Rot. Bonds4

About 5-chloro-3-[2-(dimethylamino)acetyl]pyridine-2-carboxylic acid

5-chloro-3-[2-(dimethylamino)acetyl]pyridine-2-carboxylic acid (PubChem CID 170895849) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is 5-chloro-3-[2-(dimethylamino)acetyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-3-[2-(dimethylamino)acetyl]pyridine-2-carboxylic acid
PubChem CID170895849
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name5-chloro-3-[2-(dimethylamino)acetyl]pyridine-2-carboxylic acid
SMILESCN(C)CC(=O)c1cc(Cl)cnc1C(=O)O
InChIInChI=1S/C10H11ClN2O3/c1-13(2)5-8(14)7-3-6(11)4-12-9(7)10(15)16/h3-4H,5H2,1-2H3,(H,15,16)
InChIKeyVMWFVACSYNUVJH-UHFFFAOYSA-N
XLogP1.18
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-(dimethylamino)acetyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-chloro-3-[2-(dimethylamino)acetyl]pyridine-2-carboxylic acid (CID 170895849) is 5-chloro-3-[2-(dimethylamino)acetyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-chloro-3-[2-(dimethylamino)acetyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-chloro-3-[2-(dimethylamino)acetyl]pyridine-2-carboxylic acid is CN(C)CC(=O)c1cc(Cl)cnc1C(=O)O.
What is the InChIKey of 5-chloro-3-[2-(dimethylamino)acetyl]pyridine-2-carboxylic acid?
The InChIKey is VMWFVACSYNUVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c1-13(2)5-8(14)7-3-6(11)4-12-9(7)10(15)16/h3-4H,5H2,1-2H3,(H,15,16).
What are the key properties of 5-chloro-3-[2-(dimethylamino)acetyl]pyridine-2-carboxylic acid?
5-chloro-3-[2-(dimethylamino)acetyl]pyridine-2-carboxylic acid has a molecular weight of 242.66 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[2-(dimethylamino)acetyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 170895849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).