6-chloro-2-[2-(2-hydroxyethoxy)ethylamino]pyridine-3-carboxylic acid

C10H13ClN2O4 — CID 55182902

IUPAC6-chloro-2-[2-(2-hydroxyethoxy)ethylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1NCCOCCO
InChIInChI=1S/C10H13ClN2O4/c11-8-2-1-7(10(15)16)9(13-8)12-3-5-17-6-4-14/h1-2,14H,3-6H2,(H,12,13)(H,15,16)
InChIKeyQHBPBGFHRFFOBC-UHFFFAOYSA-N
MW260.68 g/mol
LogP0.85
Rot. Bonds7

About 6-chloro-2-[2-(2-hydroxyethoxy)ethylamino]pyridine-3-carboxylic acid

6-chloro-2-[2-(2-hydroxyethoxy)ethylamino]pyridine-3-carboxylic acid (PubChem CID 55182902) has the molecular formula C10H13ClN2O4 and a molecular weight of 260.68 g/mol. Its IUPAC name is 6-chloro-2-[2-(2-hydroxyethoxy)ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[2-(2-hydroxyethoxy)ethylamino]pyridine-3-carboxylic acid
PubChem CID55182902
Molecular FormulaC10H13ClN2O4
Molecular Weight260.68 g/mol
Exact Mass260.06
IUPAC Name6-chloro-2-[2-(2-hydroxyethoxy)ethylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1NCCOCCO
InChIInChI=1S/C10H13ClN2O4/c11-8-2-1-7(10(15)16)9(13-8)12-3-5-17-6-4-14/h1-2,14H,3-6H2,(H,12,13)(H,15,16)
InChIKeyQHBPBGFHRFFOBC-UHFFFAOYSA-N
XLogP0.85
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-butoxypropylamino)-6-chloropyridine-3-carboxylic acid
CID 113481133
6-chloro-2-(2-phenoxyethylamino)pyridine-3-carboxylic acid
CID 63380096
6-chloro-2-(2-cyclopentyloxyethylamino)pyridine-3-carboxylic acid
CID 63827444
6-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-3-carboxylic acid
CID 114152080
2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 55107366
6-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid
CID 63376781
6-chloro-2-[4-[methyl(propan-2-yl)amino]butylamino]pyridine-3-carboxylic acid
CID 63380062
6-chloro-2-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carboxylic acid
CID 65313622
6-chloro-2-(3-methylbut-2-enylamino)pyridine-3-carboxylic acid
CID 106189848
6-chloro-2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid
CID 63380401
6-chloro-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid
CID 63824843
5-chloro-2-(2-ethoxyethylamino)pyridine-3-carboxylic acid;2-ethoxyethanol
CID 157290725

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[2-(2-hydroxyethoxy)ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-[2-(2-hydroxyethoxy)ethylamino]pyridine-3-carboxylic acid (CID 55182902) is 6-chloro-2-[2-(2-hydroxyethoxy)ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[2-(2-hydroxyethoxy)ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-[2-(2-hydroxyethoxy)ethylamino]pyridine-3-carboxylic acid is O=C(O)c1ccc(Cl)nc1NCCOCCO.
What is the InChIKey of 6-chloro-2-[2-(2-hydroxyethoxy)ethylamino]pyridine-3-carboxylic acid?
The InChIKey is QHBPBGFHRFFOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O4/c11-8-2-1-7(10(15)16)9(13-8)12-3-5-17-6-4-14/h1-2,14H,3-6H2,(H,12,13)(H,15,16).
What are the key properties of 6-chloro-2-[2-(2-hydroxyethoxy)ethylamino]pyridine-3-carboxylic acid?
6-chloro-2-[2-(2-hydroxyethoxy)ethylamino]pyridine-3-carboxylic acid has a molecular weight of 260.68 g/mol, XLogP of 0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[2-(2-hydroxyethoxy)ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 55182902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).