4-amino-3-chloro-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-2-carboxylic acid

C11H13ClN2O4 — CID 175130774

IUPAC4-amino-3-chloro-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)c1cnc(C(=O)O)c(Cl)c1N
InChIInChI=1S/C11H13ClN2O4/c1-11(2,3)18-10(17)5-4-14-8(9(15)16)6(12)7(5)13/h4H,1-3H3,(H2,13,14)(H,15,16)
InChIKeyUAGDOOSLJJJNRO-UHFFFAOYSA-N
MW272.69 g/mol
LogP1.97
Rot. Bonds2

About 4-amino-3-chloro-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-2-carboxylic acid

4-amino-3-chloro-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-2-carboxylic acid (PubChem CID 175130774) has the molecular formula C11H13ClN2O4 and a molecular weight of 272.69 g/mol. Its IUPAC name is 4-amino-3-chloro-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-chloro-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-2-carboxylic acid
PubChem CID175130774
Molecular FormulaC11H13ClN2O4
Molecular Weight272.69 g/mol
Exact Mass272.06
IUPAC Name4-amino-3-chloro-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)c1cnc(C(=O)O)c(Cl)c1N
InChIInChI=1S/C11H13ClN2O4/c1-11(2,3)18-10(17)5-4-14-8(9(15)16)6(12)7(5)13/h4H,1-3H3,(H2,13,14)(H,15,16)
InChIKeyUAGDOOSLJJJNRO-UHFFFAOYSA-N
XLogP1.97
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-4-carboxylic acid
CID 52987939
tert-butyl 4,6-dichloro-5-methylpyridine-3-carboxylate
CID 172818314
tert-butyl 5-amino-1,2-oxazole-4-carboxylate
CID 131213702
tert-butyl 2,5-diaminopyridine-3-carboxylate
CID 133055490
tert-butyl 5-amino-2,3-dichloropyridine-4-carboxylate
CID 167722040
2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-4-carboxylic acid
CID 44558094
2-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid
CID 56923796
2-amino-6-[3-amino-2-carboxy-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-3-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
CID 67060704
tert-butyl 5-amino-3-hydroxypyridine-2-carboxylate
CID 133060838
tert-butyl 2-amino-5-fluoropyridine-3-carboxylate
CID 133055354
ditert-butyl 6-amino-5-phenylpyridine-3,4-dicarboxylate
CID 122604116
tert-butyl 2-chloro-5-(methylcarbamoyl)pyridine-4-carboxylate
CID 167022667

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-chloro-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-2-carboxylic acid (CID 175130774) is 4-amino-3-chloro-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-chloro-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-chloro-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-2-carboxylic acid is CC(C)(C)OC(=O)c1cnc(C(=O)O)c(Cl)c1N.
What is the InChIKey of 4-amino-3-chloro-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-2-carboxylic acid?
The InChIKey is UAGDOOSLJJJNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O4/c1-11(2,3)18-10(17)5-4-14-8(9(15)16)6(12)7(5)13/h4H,1-3H3,(H2,13,14)(H,15,16).
What are the key properties of 4-amino-3-chloro-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-2-carboxylic acid?
4-amino-3-chloro-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-2-carboxylic acid has a molecular weight of 272.69 g/mol, XLogP of 1.97, 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-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 175130774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).