6-[(methoxycarbonylamino)methyl]pyridine-2-carboxylic acid

C9H10N2O4 — CID 84677462

IUPAC6-[(methoxycarbonylamino)methyl]pyridine-2-carboxylic acid
SMILESCOC(=O)NCc1cccc(C(=O)O)n1
InChIInChI=1S/C9H10N2O4/c1-15-9(14)10-5-6-3-2-4-7(11-6)8(12)13/h2-4H,5H2,1H3,(H,10,14)(H,12,13)
InChIKeyVWIGFLZUFMYHAO-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.64
Rot. Bonds3

About 6-[(methoxycarbonylamino)methyl]pyridine-2-carboxylic acid

6-[(methoxycarbonylamino)methyl]pyridine-2-carboxylic acid (PubChem CID 84677462) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 6-[(methoxycarbonylamino)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(methoxycarbonylamino)methyl]pyridine-2-carboxylic acid
PubChem CID84677462
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name6-[(methoxycarbonylamino)methyl]pyridine-2-carboxylic acid
SMILESCOC(=O)NCc1cccc(C(=O)O)n1
InChIInChI=1S/C9H10N2O4/c1-15-9(14)10-5-6-3-2-4-7(11-6)8(12)13/h2-4H,5H2,1H3,(H,10,14)(H,12,13)
InChIKeyVWIGFLZUFMYHAO-UHFFFAOYSA-N
XLogP0.64
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 84676608
ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
tert-butyl N-[(6-carbamoyl-2-pyridinyl)methyl]carbamate
CID 68863111
6-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904472
6-[(4-fluoro-3-methoxyanilino)methyl]pyridine-2-carboxylic acid
CID 106905026
6-[(but-2-ynylamino)methyl]pyridine-2-carboxylic acid
CID 106904962
6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904831
6-[(2,4-dimethoxyanilino)methyl]pyridine-2-carboxylic acid
CID 106904347
6-[(3-methylbut-2-enylamino)methyl]pyridine-2-carboxylic acid
CID 106190462
6-[[2-(carbamoylamino)ethylamino]methyl]pyridine-2-carboxylic acid
CID 106904907
6-[(2-ethylbutylamino)methyl]pyridine-2-carboxylic acid
CID 106904993
6-[(thian-4-ylmethylamino)methyl]pyridine-2-carboxylic acid
CID 106904943

Frequently Asked Questions

What is the IUPAC name of 6-[(methoxycarbonylamino)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(methoxycarbonylamino)methyl]pyridine-2-carboxylic acid (CID 84677462) is 6-[(methoxycarbonylamino)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(methoxycarbonylamino)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(methoxycarbonylamino)methyl]pyridine-2-carboxylic acid is COC(=O)NCc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[(methoxycarbonylamino)methyl]pyridine-2-carboxylic acid?
The InChIKey is VWIGFLZUFMYHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-15-9(14)10-5-6-3-2-4-7(11-6)8(12)13/h2-4H,5H2,1H3,(H,10,14)(H,12,13).
What are the key properties of 6-[(methoxycarbonylamino)methyl]pyridine-2-carboxylic acid?
6-[(methoxycarbonylamino)methyl]pyridine-2-carboxylic acid has a molecular weight of 210.19 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(methoxycarbonylamino)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 84677462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).