6-[2-(carboxyamino)-1-hydroxyethyl]pyridine-3-carboxylic acid

C9H10N2O5 — CID 143061205

IUPAC6-[2-(carboxyamino)-1-hydroxyethyl]pyridine-3-carboxylic acid
SMILESO=C(O)NCC(O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C9H10N2O5/c12-7(4-11-9(15)16)6-2-1-5(3-10-6)8(13)14/h1-3,7,11-12H,4H2,(H,13,14)(H,15,16)
InChIKeyLMFVKJCYJCZFKH-UHFFFAOYSA-N
MW226.19 g/mol
LogP0.08
Rot. Bonds4

About 6-[2-(carboxyamino)-1-hydroxyethyl]pyridine-3-carboxylic acid

6-[2-(carboxyamino)-1-hydroxyethyl]pyridine-3-carboxylic acid (PubChem CID 143061205) has the molecular formula C9H10N2O5 and a molecular weight of 226.19 g/mol. Its IUPAC name is 6-[2-(carboxyamino)-1-hydroxyethyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(carboxyamino)-1-hydroxyethyl]pyridine-3-carboxylic acid
PubChem CID143061205
Molecular FormulaC9H10N2O5
Molecular Weight226.19 g/mol
Exact Mass226.06
IUPAC Name6-[2-(carboxyamino)-1-hydroxyethyl]pyridine-3-carboxylic acid
SMILESO=C(O)NCC(O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C9H10N2O5/c12-7(4-11-9(15)16)6-2-1-5(3-10-6)8(13)14/h1-3,7,11-12H,4H2,(H,13,14)(H,15,16)
InChIKeyLMFVKJCYJCZFKH-UHFFFAOYSA-N
XLogP0.08
TPSA119.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1,2-dihydroxy-4-(phenylmethoxycarbonylamino)butyl]pyridine-3-carboxylic acid
CID 171888519
6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid
CID 98574061
6-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride
CID 71741681
(2-hydroxy-2-pyridin-3-ylethyl)carbamic acid
CID 21105805
tert-butyl N-[2-hydroxy-2-(5-isocyano-2-pyridinyl)ethyl]carbamate
CID 21064725
2-(methylamino)-1-(5-methyl-2-pyridinyl)ethanol
CID 82597132
6-[(1R)-1-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxylic acid
CID 125497910
6-(2-hydroxypropyl)pyridine-3-carboxylic acid
CID 68757151
pyridine-2,5-dicarboxylic acid
CID 158970171
6-[(2-hydroxy-4-methylpentyl)sulfamoyl]pyridine-3-carboxylic acid
CID 107151272
6-boronopyridine-3-carboxylic acid
CID 71565295
6-(hydroxysulfanylmethyl)pyridine-3-carboxylic acid
CID 174194628

Frequently Asked Questions

What is the IUPAC name of 6-[2-(carboxyamino)-1-hydroxyethyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-(carboxyamino)-1-hydroxyethyl]pyridine-3-carboxylic acid (CID 143061205) is 6-[2-(carboxyamino)-1-hydroxyethyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(carboxyamino)-1-hydroxyethyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-(carboxyamino)-1-hydroxyethyl]pyridine-3-carboxylic acid is O=C(O)NCC(O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[2-(carboxyamino)-1-hydroxyethyl]pyridine-3-carboxylic acid?
The InChIKey is LMFVKJCYJCZFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O5/c12-7(4-11-9(15)16)6-2-1-5(3-10-6)8(13)14/h1-3,7,11-12H,4H2,(H,13,14)(H,15,16).
What are the key properties of 6-[2-(carboxyamino)-1-hydroxyethyl]pyridine-3-carboxylic acid?
6-[2-(carboxyamino)-1-hydroxyethyl]pyridine-3-carboxylic acid has a molecular weight of 226.19 g/mol, XLogP of 0.08, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(carboxyamino)-1-hydroxyethyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 143061205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).