3-chloro-6-(5-methoxypentylamino)pyridine-2-carboxylic acid

C12H17ClN2O3 — CID 114131082

IUPAC3-chloro-6-(5-methoxypentylamino)pyridine-2-carboxylic acid
SMILESCOCCCCCNc1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C12H17ClN2O3/c1-18-8-4-2-3-7-14-10-6-5-9(13)11(15-10)12(16)17/h5-6H,2-4,7-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyUSDCIURDGMQBMK-UHFFFAOYSA-N
MW272.73 g/mol
LogP2.66
Rot. Bonds8

About 3-chloro-6-(5-methoxypentylamino)pyridine-2-carboxylic acid

3-chloro-6-(5-methoxypentylamino)pyridine-2-carboxylic acid (PubChem CID 114131082) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 3-chloro-6-(5-methoxypentylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(5-methoxypentylamino)pyridine-2-carboxylic acid
PubChem CID114131082
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name3-chloro-6-(5-methoxypentylamino)pyridine-2-carboxylic acid
SMILESCOCCCCCNc1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C12H17ClN2O3/c1-18-8-4-2-3-7-14-10-6-5-9(13)11(15-10)12(16)17/h5-6H,2-4,7-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyUSDCIURDGMQBMK-UHFFFAOYSA-N
XLogP2.66
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-6-(3-methylsulfanylpropylamino)pyridine-2-carboxylic acid
CID 63958515
6-(2-aminoethylamino)-3-chloropyridine-2-carboxylic acid
CID 61402986
3-chloro-6-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid
CID 106261584
3-chloro-6-(2-phenylpropylamino)pyridine-2-carboxylic acid
CID 104591662
3-chloro-N-(3-ethoxypropyl)-6-(propylamino)pyridine-2-carboxamide
CID 62165038
N-(2,5-dichlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114249
3-chloro-6-[(2-methylphenyl)methylamino]pyridine-2-carboxylic acid
CID 54944509
N-(2-chlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114184
3-chloro-6-(2-prop-2-enylsulfanylethylamino)pyridine-2-carboxylic acid
CID 106429326
3-chloro-6-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 54955037
2-(4-methoxyphenyl)-N-[6-(3-methoxypropylamino)pyridazin-3-yl]acetamide
CID 113039555
2-chloro-N-(3-methoxypropyl)pyrimidin-4-amine
CID 62343653

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(5-methoxypentylamino)pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-(5-methoxypentylamino)pyridine-2-carboxylic acid (CID 114131082) is 3-chloro-6-(5-methoxypentylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(5-methoxypentylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-(5-methoxypentylamino)pyridine-2-carboxylic acid is COCCCCCNc1ccc(Cl)c(C(=O)O)n1.
What is the InChIKey of 3-chloro-6-(5-methoxypentylamino)pyridine-2-carboxylic acid?
The InChIKey is USDCIURDGMQBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-18-8-4-2-3-7-14-10-6-5-9(13)11(15-10)12(16)17/h5-6H,2-4,7-8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-chloro-6-(5-methoxypentylamino)pyridine-2-carboxylic acid?
3-chloro-6-(5-methoxypentylamino)pyridine-2-carboxylic acid has a molecular weight of 272.73 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(5-methoxypentylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 114131082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).