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

C15H15ClN4O2 — CID 122053320

IUPAC6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCN(c3ccc(Cl)cn3)CC2)n1
InChIInChI=1S/C15H15ClN4O2/c16-11-4-5-13(17-10-11)19-6-8-20(9-7-19)14-3-1-2-12(18-14)15(21)22/h1-5,10H,6-9H2,(H,21,22)
InChIKeySLRJAZHKBYGIAV-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.15
Rot. Bonds3

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

6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122053320) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is 6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid
PubChem CID122053320
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC Name6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCN(c3ccc(Cl)cn3)CC2)n1
InChIInChI=1S/C15H15ClN4O2/c16-11-4-5-13(17-10-11)19-6-8-20(9-7-19)14-3-1-2-12(18-14)15(21)22/h1-5,10H,6-9H2,(H,21,22)
InChIKeySLRJAZHKBYGIAV-UHFFFAOYSA-N
XLogP2.15
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid (CID 122053320) is 6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(N2CCN(c3ccc(Cl)cn3)CC2)n1.
What is the InChIKey of 6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is SLRJAZHKBYGIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c16-11-4-5-13(17-10-11)19-6-8-20(9-7-19)14-3-1-2-12(18-14)15(21)22/h1-5,10H,6-9H2,(H,21,22).
What are the key properties of 6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid?
6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 318.76 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122053320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).