5-chloro-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carboxylic acid

C14H20ClN3O2 — CID 62775906

IUPAC5-chloro-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carboxylic acid
SMILESCC(C)CN1CCN(c2ncc(C(=O)O)cc2Cl)CC1
InChIInChI=1S/C14H20ClN3O2/c1-10(2)9-17-3-5-18(6-4-17)13-12(15)7-11(8-16-13)14(19)20/h7-8,10H,3-6,9H2,1-2H3,(H,19,20)
InChIKeyIRCRXNOENJVEJM-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.21
Rot. Bonds4

About 5-chloro-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carboxylic acid

5-chloro-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carboxylic acid (PubChem CID 62775906) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 5-chloro-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carboxylic acid
PubChem CID62775906
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name5-chloro-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carboxylic acid
SMILESCC(C)CN1CCN(c2ncc(C(=O)O)cc2Cl)CC1
InChIInChI=1S/C14H20ClN3O2/c1-10(2)9-17-3-5-18(6-4-17)13-12(15)7-11(8-16-13)14(19)20/h7-8,10H,3-6,9H2,1-2H3,(H,19,20)
InChIKeyIRCRXNOENJVEJM-UHFFFAOYSA-N
XLogP2.21
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carboxylic acid (CID 62775906) is 5-chloro-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carboxylic acid is CC(C)CN1CCN(c2ncc(C(=O)O)cc2Cl)CC1.
What is the InChIKey of 5-chloro-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is IRCRXNOENJVEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-10(2)9-17-3-5-18(6-4-17)13-12(15)7-11(8-16-13)14(19)20/h7-8,10H,3-6,9H2,1-2H3,(H,19,20).
What are the key properties of 5-chloro-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carboxylic acid?
5-chloro-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 297.79 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 62775906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).