4,6-dichloro-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine-3-carboxylic acid

C12H14Cl2N2O3 — CID 166870743

IUPAC4,6-dichloro-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine-3-carboxylic acid
SMILESCN1CCC[C@@H]1COc1nc(Cl)cc(Cl)c1C(=O)O
InChIInChI=1S/C12H14Cl2N2O3/c1-16-4-2-3-7(16)6-19-11-10(12(17)18)8(13)5-9(14)15-11/h5,7H,2-4,6H2,1H3,(H,17,18)/t7-/m1/s1
InChIKeyIOFPCAWSKFSASO-SSDOTTSWSA-N
MW305.16 g/mol
LogP2.56
Rot. Bonds4

About 4,6-dichloro-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine-3-carboxylic acid

4,6-dichloro-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine-3-carboxylic acid (PubChem CID 166870743) has the molecular formula C12H14Cl2N2O3 and a molecular weight of 305.16 g/mol. Its IUPAC name is 4,6-dichloro-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4,6-dichloro-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine-3-carboxylic acid
PubChem CID166870743
Molecular FormulaC12H14Cl2N2O3
Molecular Weight305.16 g/mol
Exact Mass304.04
IUPAC Name4,6-dichloro-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine-3-carboxylic acid
SMILESCN1CCC[C@@H]1COc1nc(Cl)cc(Cl)c1C(=O)O
InChIInChI=1S/C12H14Cl2N2O3/c1-16-4-2-3-7(16)6-19-11-10(12(17)18)8(13)5-9(14)15-11/h5,7H,2-4,6H2,1H3,(H,17,18)/t7-/m1/s1
InChIKeyIOFPCAWSKFSASO-SSDOTTSWSA-N
XLogP2.56
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,6-dichloro-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylic acid
CID 168910704
2-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboxylic acid
CID 65472831
methyl 4-chloro-6-[(1-methylpyrrolidin-2-yl)methoxy]pyrimidine-2-carboxylate
CID 178104654
3-[(1-methylpiperidin-2-yl)methoxy]pyrazine-2-carboxylic acid
CID 65469620
2-chloro-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-4-carboxylic acid
CID 114137693
2,4-dichloro-5-fluoro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine
CID 168910926
2-chloro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 10263121
1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboxylic acid
CID 65467124
2-chloro-3-ethyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 54367867
2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]benzoic acid
CID 170367933
N-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide
CID 54479195
(1-methylpyrrolidin-2-yl)methyl 3,6-dichloro-2-hydroxybenzoate
CID 169177800

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine-3-carboxylic acid?
The IUPAC name of 4,6-dichloro-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine-3-carboxylic acid (CID 166870743) is 4,6-dichloro-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 4,6-dichloro-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 4,6-dichloro-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine-3-carboxylic acid is CN1CCC[C@@H]1COc1nc(Cl)cc(Cl)c1C(=O)O.
What is the InChIKey of 4,6-dichloro-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine-3-carboxylic acid?
The InChIKey is IOFPCAWSKFSASO-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3/c1-16-4-2-3-7(16)6-19-11-10(12(17)18)8(13)5-9(14)15-11/h5,7H,2-4,6H2,1H3,(H,17,18)/t7-/m1/s1.
What are the key properties of 4,6-dichloro-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine-3-carboxylic acid?
4,6-dichloro-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine-3-carboxylic acid has a molecular weight of 305.16 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 166870743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).