5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid

C11H13FN2O4 — CID 137407913

IUPAC5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1cc(C(=O)O)c(F)cn1
InChIInChI=1S/C11H13FN2O4/c1-11(2,3)18-10(17)14-8-4-6(9(15)16)7(12)5-13-8/h4-5H,1-3H3,(H,15,16)(H,13,14,17)
InChIKeyPCWKVVVESIPCAS-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.27
Rot. Bonds2

About 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid

5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid (PubChem CID 137407913) has the molecular formula C11H13FN2O4 and a molecular weight of 256.23 g/mol. Its IUPAC name is 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid
PubChem CID137407913
Molecular FormulaC11H13FN2O4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1cc(C(=O)O)c(F)cn1
InChIInChI=1S/C11H13FN2O4/c1-11(2,3)18-10(17)14-8-4-6(9(15)16)7(12)5-13-8/h4-5H,1-3H3,(H,15,16)(H,13,14,17)
InChIKeyPCWKVVVESIPCAS-UHFFFAOYSA-N
XLogP2.27
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(4-fluoro-5-formyl-2-pyridinyl)carbamate
CID 142536295
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
2,5-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 122204937
tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate
CID 58477930
2-fluoro-5-iodo-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 171463811
1-[5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 146285567
tert-butyl N-(2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-yl)carbamate
CID 170899240
tert-butyl N-(5-propan-2-yloxy-2-pyridinyl)carbamate
CID 70798094
tert-butyl N-[5-fluoro-2-(1-methylcyclopropyl)oxy-4-pyridinyl]carbamate
CID 162439934
tert-butyl N-[6-(methylamino)pyrimidin-4-yl]carbamate
CID 86086992
methyl N-(5-fluoro-4-iodo-2-pyridinyl)carbamate
CID 176837638
tert-butyl N-(6-amino-5-fluoro-2-pyridinyl)carbamate
CID 135132369

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid?
The IUPAC name of 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid (CID 137407913) is 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid is CC(C)(C)OC(=O)Nc1cc(C(=O)O)c(F)cn1.
What is the InChIKey of 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid?
The InChIKey is PCWKVVVESIPCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O4/c1-11(2,3)18-10(17)14-8-4-6(9(15)16)7(12)5-13-8/h4-5H,1-3H3,(H,15,16)(H,13,14,17).
What are the key properties of 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid?
5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid has a molecular weight of 256.23 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 137407913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).