6-chloro-2-[ethyl(2-methoxyethyl)amino]pyridine-3-carboxylic acid

C11H15ClN2O3 — CID 55183616

IUPAC6-chloro-2-[ethyl(2-methoxyethyl)amino]pyridine-3-carboxylic acid
SMILESCCN(CCOC)c1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C11H15ClN2O3/c1-3-14(6-7-17-2)10-8(11(15)16)4-5-9(12)13-10/h4-5H,3,6-7H2,1-2H3,(H,15,16)
InChIKeyUBGJOSQTIPLDMS-UHFFFAOYSA-N
MW258.70 g/mol
LogP1.91
Rot. Bonds6

About 6-chloro-2-[ethyl(2-methoxyethyl)amino]pyridine-3-carboxylic acid

6-chloro-2-[ethyl(2-methoxyethyl)amino]pyridine-3-carboxylic acid (PubChem CID 55183616) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is 6-chloro-2-[ethyl(2-methoxyethyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[ethyl(2-methoxyethyl)amino]pyridine-3-carboxylic acid
PubChem CID55183616
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Name6-chloro-2-[ethyl(2-methoxyethyl)amino]pyridine-3-carboxylic acid
SMILESCCN(CCOC)c1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C11H15ClN2O3/c1-3-14(6-7-17-2)10-8(11(15)16)4-5-9(12)13-10/h4-5H,3,6-7H2,1-2H3,(H,15,16)
InChIKeyUBGJOSQTIPLDMS-UHFFFAOYSA-N
XLogP1.91
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 51.91
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-[(2-amino-2-oxoethyl)-ethylamino]-6-chloropyridine-3-carboxylic acid
CID 103102785
6-chloro-2-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxylic acid
CID 63380049
6-chloro-2-[methyl(pentyl)amino]pyridine-3-carboxylic acid
CID 63380325
2-[bis(2-methoxyethyl)amino]-4-methylbenzoic acid
CID 62701013
6-chloro-2-(4-ethyl-N-methylanilino)pyridine-3-carboxylic acid
CID 63538850
2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-6-chloropyridine-3-carboxylic acid
CID 63379944
2-[ethyl(2-methoxyethyl)amino]-5-fluorobenzoic acid
CID 61446574
2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid
CID 63690234
5-[ethyl(2-methoxyethyl)amino]pyridine-2-carboxylic acid
CID 115490842
6-chloro-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxylic acid
CID 107200362
6-chloro-4-N,4-N-diethyl-2-N,2-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 62863384
2-[2-methoxyethyl(methyl)carbamoyl]benzoic acid
CID 61041287

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[ethyl(2-methoxyethyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-[ethyl(2-methoxyethyl)amino]pyridine-3-carboxylic acid (CID 55183616) is 6-chloro-2-[ethyl(2-methoxyethyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[ethyl(2-methoxyethyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-[ethyl(2-methoxyethyl)amino]pyridine-3-carboxylic acid is CCN(CCOC)c1nc(Cl)ccc1C(=O)O.
What is the InChIKey of 6-chloro-2-[ethyl(2-methoxyethyl)amino]pyridine-3-carboxylic acid?
The InChIKey is UBGJOSQTIPLDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c1-3-14(6-7-17-2)10-8(11(15)16)4-5-9(12)13-10/h4-5H,3,6-7H2,1-2H3,(H,15,16).
What are the key properties of 6-chloro-2-[ethyl(2-methoxyethyl)amino]pyridine-3-carboxylic acid?
6-chloro-2-[ethyl(2-methoxyethyl)amino]pyridine-3-carboxylic acid has a molecular weight of 258.70 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[ethyl(2-methoxyethyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 55183616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).