4-(1-methylpyrrolidin-2-yl)pyridine-3-carboxylic acid

C11H14N2O2 — CID 115024586

IUPAC4-(1-methylpyrrolidin-2-yl)pyridine-3-carboxylic acid
SMILESCN1CCCC1c1ccncc1C(=O)O
InChIInChI=1S/C11H14N2O2/c1-13-6-2-3-10(13)8-4-5-12-7-9(8)11(14)15/h4-5,7,10H,2-3,6H2,1H3,(H,14,15)
InChIKeyPVCGYYYYSAKHMK-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.55
Rot. Bonds2

About 4-(1-methylpyrrolidin-2-yl)pyridine-3-carboxylic acid

4-(1-methylpyrrolidin-2-yl)pyridine-3-carboxylic acid (PubChem CID 115024586) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-(1-methylpyrrolidin-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(1-methylpyrrolidin-2-yl)pyridine-3-carboxylic acid
PubChem CID115024586
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name4-(1-methylpyrrolidin-2-yl)pyridine-3-carboxylic acid
SMILESCN1CCCC1c1ccncc1C(=O)O
InChIInChI=1S/C11H14N2O2/c1-13-6-2-3-10(13)8-4-5-12-7-9(8)11(14)15/h4-5,7,10H,2-3,6H2,1H3,(H,14,15)
InChIKeyPVCGYYYYSAKHMK-UHFFFAOYSA-N
XLogP1.55
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425
4-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile
CID 115017322
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175253696
[4-(1-methylpyrrolidin-2-yl)-3-pyridinyl]methanamine
CID 115018745
carbamic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174664088
2-hydroxybenzoic acid;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 159601367
3-[(2S)-1-methylpyrrolidin-2-yl]-4-methylsulfanylpyridine
CID 11991400
4-methyl-3-(1-methylpiperidin-2-yl)pyridine
CID 102539165
bis((E)-but-2-enedioic acid);bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783487
ethyl 3-[3-(1-methylpyrrolidin-2-yl)-4-pyridinyl]propanoate
CID 118528700
2,3-dihydroxybutanedioic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 6708476
1-[3-(1-methylpyrrolidin-2-yl)-4-pyridinyl]pyrrolidin-2-one
CID 132535316

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrrolidin-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 4-(1-methylpyrrolidin-2-yl)pyridine-3-carboxylic acid (CID 115024586) is 4-(1-methylpyrrolidin-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(1-methylpyrrolidin-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(1-methylpyrrolidin-2-yl)pyridine-3-carboxylic acid is CN1CCCC1c1ccncc1C(=O)O.
What is the InChIKey of 4-(1-methylpyrrolidin-2-yl)pyridine-3-carboxylic acid?
The InChIKey is PVCGYYYYSAKHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-13-6-2-3-10(13)8-4-5-12-7-9(8)11(14)15/h4-5,7,10H,2-3,6H2,1H3,(H,14,15).
What are the key properties of 4-(1-methylpyrrolidin-2-yl)pyridine-3-carboxylic acid?
4-(1-methylpyrrolidin-2-yl)pyridine-3-carboxylic acid has a molecular weight of 206.25 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrrolidin-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 115024586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).