ethyl N-[[3-chloro-5-(hydroxymethyl)-2-pyridinyl]carbamoyl]carbamate

C10H12ClN3O4 — CID 139292576

IUPACethyl N-[[3-chloro-5-(hydroxymethyl)-2-pyridinyl]carbamoyl]carbamate
SMILESCCOC(=O)NC(=O)Nc1ncc(CO)cc1Cl
InChIInChI=1S/C10H12ClN3O4/c1-2-18-10(17)14-9(16)13-8-7(11)3-6(5-15)4-12-8/h3-4,15H,2,5H2,1H3,(H2,12,13,14,16,17)
InChIKeyOXVJGGNYUUVXEK-UHFFFAOYSA-N
MW273.68 g/mol
LogP1.51
Rot. Bonds3

About ethyl N-[[3-chloro-5-(hydroxymethyl)-2-pyridinyl]carbamoyl]carbamate

ethyl N-[[3-chloro-5-(hydroxymethyl)-2-pyridinyl]carbamoyl]carbamate (PubChem CID 139292576) has the molecular formula C10H12ClN3O4 and a molecular weight of 273.68 g/mol. Its IUPAC name is ethyl N-[[3-chloro-5-(hydroxymethyl)-2-pyridinyl]carbamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[3-chloro-5-(hydroxymethyl)-2-pyridinyl]carbamoyl]carbamate
PubChem CID139292576
Molecular FormulaC10H12ClN3O4
Molecular Weight273.68 g/mol
Exact Mass273.05
IUPAC Nameethyl N-[[3-chloro-5-(hydroxymethyl)-2-pyridinyl]carbamoyl]carbamate
SMILESCCOC(=O)NC(=O)Nc1ncc(CO)cc1Cl
InChIInChI=1S/C10H12ClN3O4/c1-2-18-10(17)14-9(16)13-8-7(11)3-6(5-15)4-12-8/h3-4,15H,2,5H2,1H3,(H2,12,13,14,16,17)
InChIKeyOXVJGGNYUUVXEK-UHFFFAOYSA-N
XLogP1.51
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-chloro-5-formylpyridine-2-carboxylate;ethyl 3-chloro-5-(hydroxymethyl)pyridine-2-carboxylate
CID 163577147
N-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]acetamide
CID 178150584
1-(3-chloro-5-methyl-2-pyridinyl)-3-methylurea
CID 20827630
ethyl N-[(3-methylphenyl)carbamoyl]carbamate
CID 59576587
ethyl N-[(3-chloro-2-pyridinyl)carbamothioyl]carbamate
CID 154638035
ethyl N-[(4-chloro-2-pyridinyl)sulfanylcarbamoyl]carbamate
CID 141485768
[5-chloro-6-[(3-methyl-2-propan-2-ylbutyl)amino]-3-pyridinyl]methanol
CID 102915156
cobalt;ethyl N-(ethoxycarbonylcarbamoyl)carbamate
CID 160975753
[5-chloro-6-(4-chloroanilino)-3-pyridinyl]methanol
CID 69074362
ethyl 2-[(3,5-dichloro-2-pyridinyl)amino]acetate
CID 60811106
ethyl N-(5-methoxypyrimidin-2-yl)carbamate
CID 4159152
ethyl N-[(3-methoxyphenyl)carbamoyl]carbamate
CID 13221153

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[3-chloro-5-(hydroxymethyl)-2-pyridinyl]carbamoyl]carbamate?
The IUPAC name of ethyl N-[[3-chloro-5-(hydroxymethyl)-2-pyridinyl]carbamoyl]carbamate (CID 139292576) is ethyl N-[[3-chloro-5-(hydroxymethyl)-2-pyridinyl]carbamoyl]carbamate.
What is the SMILES notation for ethyl N-[[3-chloro-5-(hydroxymethyl)-2-pyridinyl]carbamoyl]carbamate?
The canonical SMILES for ethyl N-[[3-chloro-5-(hydroxymethyl)-2-pyridinyl]carbamoyl]carbamate is CCOC(=O)NC(=O)Nc1ncc(CO)cc1Cl.
What is the InChIKey of ethyl N-[[3-chloro-5-(hydroxymethyl)-2-pyridinyl]carbamoyl]carbamate?
The InChIKey is OXVJGGNYUUVXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O4/c1-2-18-10(17)14-9(16)13-8-7(11)3-6(5-15)4-12-8/h3-4,15H,2,5H2,1H3,(H2,12,13,14,16,17).
What are the key properties of ethyl N-[[3-chloro-5-(hydroxymethyl)-2-pyridinyl]carbamoyl]carbamate?
ethyl N-[[3-chloro-5-(hydroxymethyl)-2-pyridinyl]carbamoyl]carbamate has a molecular weight of 273.68 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[3-chloro-5-(hydroxymethyl)-2-pyridinyl]carbamoyl]carbamate is sourced from PubChem (CID 139292576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).