2-chloro-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-4-carboxylic acid

C12H16ClN3O2 — CID 114137693

IUPAC2-chloro-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-4-carboxylic acid
SMILESCN1CCCC1CNc1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C12H16ClN3O2/c1-16-4-2-3-9(16)7-14-11-6-8(12(17)18)5-10(13)15-11/h5-6,9H,2-4,7H2,1H3,(H,14,15)(H,17,18)
InChIKeyIXFMLRSHHSPTFY-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.94
Rot. Bonds4

About 2-chloro-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-4-carboxylic acid

2-chloro-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-4-carboxylic acid (PubChem CID 114137693) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-chloro-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-4-carboxylic acid
PubChem CID114137693
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name2-chloro-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-4-carboxylic acid
SMILESCN1CCCC1CNc1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C12H16ClN3O2/c1-16-4-2-3-9(16)7-14-11-6-8(12(17)18)5-10(13)15-11/h5-6,9H,2-4,7H2,1H3,(H,14,15)(H,17,18)
InChIKeyIXFMLRSHHSPTFY-UHFFFAOYSA-N
XLogP1.94
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-4-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

6-chloro-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine
CID 106022889
6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-4-nitropyridin-2-amine
CID 106028372
2-chloro-6-(oxan-4-ylmethylamino)pyridine-4-carboxylic acid
CID 63708052
2-chloro-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-4-carboxylic acid
CID 65472831
6-chloro-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine
CID 63586179
3-chloro-4-[(1-methylpiperidin-2-yl)methylamino]benzoic acid
CID 55181036
5-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazin-2-amine
CID 131214051
2-chloro-6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 43568560
2-chloro-6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-4-carboxylic acid
CID 107164219
methyl 4-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-2-carboxylate
CID 114138490
2-chloro-6-[(1-methylpyrrolidin-3-yl)amino]pyridine-4-carboxylic acid
CID 54949787
3,4-dichloro-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83962864

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-4-carboxylic acid (CID 114137693) is 2-chloro-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-4-carboxylic acid is CN1CCCC1CNc1cc(C(=O)O)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-4-carboxylic acid?
The InChIKey is IXFMLRSHHSPTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-16-4-2-3-9(16)7-14-11-6-8(12(17)18)5-10(13)15-11/h5-6,9H,2-4,7H2,1H3,(H,14,15)(H,17,18).
What are the key properties of 2-chloro-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-4-carboxylic acid?
2-chloro-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-4-carboxylic acid has a molecular weight of 269.73 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114137693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).