4-amino-3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxylic acid

C14H11ClN2O4 — CID 123931312

IUPAC4-amino-3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxylic acid
SMILESNc1cc(-c2ccc3c(c2)OCCO3)nc(C(=O)O)c1Cl
InChIInChI=1S/C14H11ClN2O4/c15-12-8(16)6-9(17-13(12)14(18)19)7-1-2-10-11(5-7)21-4-3-20-10/h1-2,5-6H,3-4H2,(H2,16,17)(H,18,19)
InChIKeyXUMGQYBDROQBEI-UHFFFAOYSA-N
MW306.71 g/mol
LogP2.45
Rot. Bonds2

About 4-amino-3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxylic acid

4-amino-3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxylic acid (PubChem CID 123931312) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is 4-amino-3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxylic acid
PubChem CID123931312
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC Name4-amino-3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxylic acid
SMILESNc1cc(-c2ccc3c(c2)OCCO3)nc(C(=O)O)c1Cl
InChIInChI=1S/C14H11ClN2O4/c15-12-8(16)6-9(17-13(12)14(18)19)7-1-2-10-11(5-7)21-4-3-20-10/h1-2,5-6H,3-4H2,(H2,16,17)(H,18,19)
InChIKeyXUMGQYBDROQBEI-UHFFFAOYSA-N
XLogP2.45
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-amino-6-(1,3-benzodioxol-5-yl)-3-chloropyridine-2-carboxylate
CID 22677261
4-amino-3-chloro-6-(4-chloro-3-fluorophenyl)pyridine-2-carboxylic acid
CID 22677438
4-amino-6-[3,4-bis[fluoro(dihydroxy)methyl]phenyl]-3-chloropyridine-2-carboxylic acid
CID 68598493
4-amino-3-chloro-6-(6-chloro-3-pyridinyl)pyridine-2-carboxylic acid
CID 22677268
4-amino-3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 90440337
8-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxylic acid
CID 4603899
4-amino-3-chloro-6-[4-methyl-3-(sulfomethyl)phenyl]pyridine-2-carboxylic acid
CID 151134828
5-amino-2-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxylic acid
CID 103199844
4-amino-3-chloro-6-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]pyridine-2-carboxylic acid
CID 174443473
4-amino-3-chloro-6-(8,9-difluoro-2,4-dioxabicyclo[3.2.2]nona-1(8),5(9),6-trien-6-yl)pyridine-2-carboxylic acid
CID 22677304
4-amino-3-chloro-6-(2-methylpyrazol-3-yl)pyridine-2-carboxylic acid
CID 22677351
2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carbonyl chloride
CID 46779784

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxylic acid (CID 123931312) is 4-amino-3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxylic acid is Nc1cc(-c2ccc3c(c2)OCCO3)nc(C(=O)O)c1Cl.
What is the InChIKey of 4-amino-3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxylic acid?
The InChIKey is XUMGQYBDROQBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c15-12-8(16)6-9(17-13(12)14(18)19)7-1-2-10-11(5-7)21-4-3-20-10/h1-2,5-6H,3-4H2,(H2,16,17)(H,18,19).
What are the key properties of 4-amino-3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxylic acid?
4-amino-3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxylic acid has a molecular weight of 306.71 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 123931312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).