3-chloro-2-[(1-methylpyrrolidin-3-yl)amino]pyridine-4-carboxylic acid

C11H14ClN3O2 — CID 107062071

IUPAC3-chloro-2-[(1-methylpyrrolidin-3-yl)amino]pyridine-4-carboxylic acid
SMILESCN1CCC(Nc2nccc(C(=O)O)c2Cl)C1
InChIInChI=1S/C11H14ClN3O2/c1-15-5-3-7(6-15)14-10-9(12)8(11(16)17)2-4-13-10/h2,4,7H,3,5-6H2,1H3,(H,13,14)(H,16,17)
InChIKeyLJOCSUZSHGDVAA-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.55
Rot. Bonds3

About 3-chloro-2-[(1-methylpyrrolidin-3-yl)amino]pyridine-4-carboxylic acid

3-chloro-2-[(1-methylpyrrolidin-3-yl)amino]pyridine-4-carboxylic acid (PubChem CID 107062071) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 3-chloro-2-[(1-methylpyrrolidin-3-yl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-[(1-methylpyrrolidin-3-yl)amino]pyridine-4-carboxylic acid
PubChem CID107062071
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name3-chloro-2-[(1-methylpyrrolidin-3-yl)amino]pyridine-4-carboxylic acid
SMILESCN1CCC(Nc2nccc(C(=O)O)c2Cl)C1
InChIInChI=1S/C11H14ClN3O2/c1-15-5-3-7(6-15)14-10-9(12)8(11(16)17)2-4-13-10/h2,4,7H,3,5-6H2,1H3,(H,13,14)(H,16,17)
InChIKeyLJOCSUZSHGDVAA-UHFFFAOYSA-N
XLogP1.55
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-(thiolan-3-ylamino)pyridine-4-carboxylic acid
CID 107063139
2-[(1-methylazetidin-3-yl)amino]pyridine-3-carboxylic acid
CID 131019802
4-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxylic acid
CID 61465381
4-[(1-methylpyrrolidin-3-yl)amino]pyridine-3-carboxylic acid
CID 81232405
3-chloro-2-[(2-propan-2-ylcyclohexyl)amino]pyridine-4-carboxylic acid
CID 107062908
6-[(1-methylpyrrolidin-3-yl)amino]pyridine-3-carboxylic acid
CID 61465352
2-[(1-cyclopropylpyrrolidin-3-yl)amino]-3-fluoropyridine-4-carboxylic acid
CID 105382170
2-chloro-6-[(1-methylpyrrolidin-3-yl)amino]pyridine-4-carboxylic acid
CID 54949787
3-chloro-2-(3-cyclopropylpropylamino)pyridine-4-carboxylic acid
CID 107063076
2,3-difluoro-4-[(1-methylpyrrolidin-3-yl)amino]benzoic acid
CID 79837986
2-[(1-methylpyrrolidin-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62711355
3,5-dichloro-N-(1-methylpyrrolidin-3-yl)pyridin-2-amine
CID 61465020

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(1-methylpyrrolidin-3-yl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-[(1-methylpyrrolidin-3-yl)amino]pyridine-4-carboxylic acid (CID 107062071) is 3-chloro-2-[(1-methylpyrrolidin-3-yl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-[(1-methylpyrrolidin-3-yl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-[(1-methylpyrrolidin-3-yl)amino]pyridine-4-carboxylic acid is CN1CCC(Nc2nccc(C(=O)O)c2Cl)C1.
What is the InChIKey of 3-chloro-2-[(1-methylpyrrolidin-3-yl)amino]pyridine-4-carboxylic acid?
The InChIKey is LJOCSUZSHGDVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-15-5-3-7(6-15)14-10-9(12)8(11(16)17)2-4-13-10/h2,4,7H,3,5-6H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 3-chloro-2-[(1-methylpyrrolidin-3-yl)amino]pyridine-4-carboxylic acid?
3-chloro-2-[(1-methylpyrrolidin-3-yl)amino]pyridine-4-carboxylic acid has a molecular weight of 255.70 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(1-methylpyrrolidin-3-yl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 107062071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).