3-chloro-2-(oxolan-2-ylmethylamino)pyridine-4-carboxylic acid

C11H13ClN2O3 — CID 107061826

IUPAC3-chloro-2-(oxolan-2-ylmethylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCC2CCCO2)c1Cl
InChIInChI=1S/C11H13ClN2O3/c12-9-8(11(15)16)3-4-13-10(9)14-6-7-2-1-5-17-7/h3-4,7H,1-2,5-6H2,(H,13,14)(H,15,16)
InChIKeyGBQCZDBRMXSBNZ-UHFFFAOYSA-N
MW256.69 g/mol
LogP2.02
Rot. Bonds4

About 3-chloro-2-(oxolan-2-ylmethylamino)pyridine-4-carboxylic acid

3-chloro-2-(oxolan-2-ylmethylamino)pyridine-4-carboxylic acid (PubChem CID 107061826) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 3-chloro-2-(oxolan-2-ylmethylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-(oxolan-2-ylmethylamino)pyridine-4-carboxylic acid
PubChem CID107061826
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name3-chloro-2-(oxolan-2-ylmethylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCC2CCCO2)c1Cl
InChIInChI=1S/C11H13ClN2O3/c12-9-8(11(15)16)3-4-13-10(9)14-6-7-2-1-5-17-7/h3-4,7H,1-2,5-6H2,(H,13,14)(H,15,16)
InChIKeyGBQCZDBRMXSBNZ-UHFFFAOYSA-N
XLogP2.02
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid
CID 107062793
3-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid
CID 107062367
3-chloro-2-(3-cyclopropylpropylamino)pyridine-4-carboxylic acid
CID 107063076
N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 43103022
3-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62254757
2-[[2-(oxolan-2-yl)acetyl]amino]pyridine-3-carboxylic acid
CID 65157572
4-(oxolan-2-ylmethylamino)quinazoline-7-carboxylic acid
CID 16641766
3-chloro-4-(oxolan-2-ylmethylamino)benzoic acid
CID 63087283
4-(3-chloro-4-methylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206834
6-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidine-5-carboxylic acid
CID 99869074
4-(oxolan-2-ylmethylamino)quinoline-3-carboxylic acid
CID 61339890
2-amino-4-(oxolan-2-ylmethylamino)benzoic acid
CID 104500178

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(oxolan-2-ylmethylamino)pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-(oxolan-2-ylmethylamino)pyridine-4-carboxylic acid (CID 107061826) is 3-chloro-2-(oxolan-2-ylmethylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-(oxolan-2-ylmethylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-(oxolan-2-ylmethylamino)pyridine-4-carboxylic acid is O=C(O)c1ccnc(NCC2CCCO2)c1Cl.
What is the InChIKey of 3-chloro-2-(oxolan-2-ylmethylamino)pyridine-4-carboxylic acid?
The InChIKey is GBQCZDBRMXSBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c12-9-8(11(15)16)3-4-13-10(9)14-6-7-2-1-5-17-7/h3-4,7H,1-2,5-6H2,(H,13,14)(H,15,16).
What are the key properties of 3-chloro-2-(oxolan-2-ylmethylamino)pyridine-4-carboxylic acid?
3-chloro-2-(oxolan-2-ylmethylamino)pyridine-4-carboxylic acid has a molecular weight of 256.69 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(oxolan-2-ylmethylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 107061826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).