(5-chloro-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate

C8H8ClN3O4 — CID 22363638

IUPAC(5-chloro-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
SMILESNCC(=O)NC(=O)Oc1ncc(Cl)cc1O
InChIInChI=1S/C8H8ClN3O4/c9-4-1-5(13)7(11-3-4)16-8(15)12-6(14)2-10/h1,3,13H,2,10H2,(H,12,14,15)
InChIKeyLZISMUIJVPLMJN-UHFFFAOYSA-N
MW245.62 g/mol
LogP0.01
Rot. Bonds2

About (5-chloro-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate

(5-chloro-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate (PubChem CID 22363638) has the molecular formula C8H8ClN3O4 and a molecular weight of 245.62 g/mol. Its IUPAC name is (5-chloro-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate.

Molecular Properties

Compound Name(5-chloro-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
PubChem CID22363638
Molecular FormulaC8H8ClN3O4
Molecular Weight245.62 g/mol
Exact Mass245.02
IUPAC Name(5-chloro-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
SMILESNCC(=O)NC(=O)Oc1ncc(Cl)cc1O
InChIInChI=1S/C8H8ClN3O4/c9-4-1-5(13)7(11-3-4)16-8(15)12-6(14)2-10/h1,3,13H,2,10H2,(H,12,14,15)
InChIKeyLZISMUIJVPLMJN-UHFFFAOYSA-N
XLogP0.01
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.62
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(4-hexoxy-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
CID 22363708
pentan-3-yl 6-[(2-aminoacetyl)carbamoyloxy]-5-[(4-chlorophenyl)methoxy]pyridine-3-carboxylate
CID 67690914
2-(aminomethyl)-5-chloropyridin-3-ol
CID 133057163
pentan-3-yl 6-[(2-aminoacetyl)carbamoyloxy]-5-cyclohexyloxypyridine-3-carboxylate
CID 22363202
2-(5-chloro-3-hydroxy-2-pyridinyl)acetamide
CID 133058864
3-amino-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide
CID 119900876
[5-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3-methoxy-2-pyridinyl] N-(2-aminoacetyl)carbamate
CID 67690860
2-amino-N-(5,6-dichloro-3-pyridinyl)acetamide
CID 130609491
ethyl 3-(5-chloro-2-methoxy-3-pyridinyl)-3-oxopropanoate
CID 170986768
pentan-3-yl 6-[(2-aminoacetyl)carbamoyloxy]-5-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-3-carboxylate
CID 67690951
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-(2-hydroxyphenyl)acetamide
CID 71917205
methyl (2R)-2-[(3,5-dichloro-2-pyridinyl)oxy]butanoate
CID 165431123

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate?
The IUPAC name of (5-chloro-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate (CID 22363638) is (5-chloro-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate.
What is the SMILES notation for (5-chloro-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate?
The canonical SMILES for (5-chloro-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate is NCC(=O)NC(=O)Oc1ncc(Cl)cc1O.
What is the InChIKey of (5-chloro-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate?
The InChIKey is LZISMUIJVPLMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O4/c9-4-1-5(13)7(11-3-4)16-8(15)12-6(14)2-10/h1,3,13H,2,10H2,(H,12,14,15).
What are the key properties of (5-chloro-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate?
(5-chloro-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate has a molecular weight of 245.62 g/mol, XLogP of 0.01, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate is sourced from PubChem (CID 22363638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).