2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-4-carboxylic acid

C13H18ClN3O2 — CID 63620736

IUPAC2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-4-carboxylic acid
SMILESCCN1CCN(c2cc(C(=O)O)cc(Cl)n2)CC1C
InChIInChI=1S/C13H18ClN3O2/c1-3-16-4-5-17(8-9(16)2)12-7-10(13(18)19)6-11(14)15-12/h6-7,9H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyQKUUXCXCENAQJV-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.96
Rot. Bonds3

About 2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-4-carboxylic acid

2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-4-carboxylic acid (PubChem CID 63620736) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-4-carboxylic acid
PubChem CID63620736
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-4-carboxylic acid
SMILESCCN1CCN(c2cc(C(=O)O)cc(Cl)n2)CC1C
InChIInChI=1S/C13H18ClN3O2/c1-3-16-4-5-17(8-9(16)2)12-7-10(13(18)19)6-11(14)15-12/h6-7,9H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyQKUUXCXCENAQJV-UHFFFAOYSA-N
XLogP1.96
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(3,4-dihydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 106669843
2-chloro-6-(3-methylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 43166580
2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 106587160
2-chloro-6-[3-(methylaminomethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 61404286
4-chloro-6-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrimidine
CID 124832471
6-(4-ethyl-3-methylpiperazin-1-yl)-5-methylpyridine-3-carboxylic acid
CID 80632175
4-(4-ethyl-3-methylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 80834370
2-chloro-6-(2-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 60973947
2-chloro-6-(2-ethylimidazol-1-yl)pyridine-4-carboxylic acid
CID 61402497
2-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpyrimidin-4-amine
CID 80934561
2-[4-chloro-6-[(3S)-4-(2,2-dimethylpropanoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanylacetic acid
CID 1067513
N-[[5-chloro-2-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]ethanamine
CID 114926454

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-4-carboxylic acid (CID 63620736) is 2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-4-carboxylic acid is CCN1CCN(c2cc(C(=O)O)cc(Cl)n2)CC1C.
What is the InChIKey of 2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-4-carboxylic acid?
The InChIKey is QKUUXCXCENAQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-3-16-4-5-17(8-9(16)2)12-7-10(13(18)19)6-11(14)15-12/h6-7,9H,3-5,8H2,1-2H3,(H,18,19).
What are the key properties of 2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-4-carboxylic acid?
2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-4-carboxylic acid has a molecular weight of 283.76 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 63620736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).