chloromethyl N-[3-(hydroxymethyl)-2-pyridinyl]-N-methylcarbamate

C9H11ClN2O3 — CID 142619302

IUPACchloromethyl N-[3-(hydroxymethyl)-2-pyridinyl]-N-methylcarbamate
SMILESCN(C(=O)OCCl)c1ncccc1CO
InChIInChI=1S/C9H11ClN2O3/c1-12(9(14)15-6-10)8-7(5-13)3-2-4-11-8/h2-4,13H,5-6H2,1H3
InChIKeyCYXWFNDFXIEFCU-UHFFFAOYSA-N
MW230.65 g/mol
LogP1.34
Rot. Bonds3

About chloromethyl N-[3-(hydroxymethyl)-2-pyridinyl]-N-methylcarbamate

chloromethyl N-[3-(hydroxymethyl)-2-pyridinyl]-N-methylcarbamate (PubChem CID 142619302) has the molecular formula C9H11ClN2O3 and a molecular weight of 230.65 g/mol. Its IUPAC name is chloromethyl N-[3-(hydroxymethyl)-2-pyridinyl]-N-methylcarbamate.

Molecular Properties

Compound Namechloromethyl N-[3-(hydroxymethyl)-2-pyridinyl]-N-methylcarbamate
PubChem CID142619302
Molecular FormulaC9H11ClN2O3
Molecular Weight230.65 g/mol
Exact Mass230.05
IUPAC Namechloromethyl N-[3-(hydroxymethyl)-2-pyridinyl]-N-methylcarbamate
SMILESCN(C(=O)OCCl)c1ncccc1CO
InChIInChI=1S/C9H11ClN2O3/c1-12(9(14)15-6-10)8-7(5-13)3-2-4-11-8/h2-4,13H,5-6H2,1H3
InChIKeyCYXWFNDFXIEFCU-UHFFFAOYSA-N
XLogP1.34
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-(bromomethyl)-2-pyridinyl]-N-methylcarbamate
CID 141274850
[2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate
CID 142619400
[2-[methyl(2-methylpropoxycarbonyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate
CID 155282439
[2-[methyl(propyl)amino]-3-pyridinyl]methanol
CID 61255175
CID 89221523
CID 89221523
[2-[(2-chlorophenyl)methyl-methylamino]-3-pyridinyl]methanol
CID 61417296
1-chloroethyl N-methyl-N-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-pyridinyl]carbamate
CID 153297641
[2-[methyl(pentyl)amino]-3-pyridinyl]methanol
CID 61256458
[2-[1-chloroethoxycarbonyl(methyl)amino]-3-pyridinyl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 137471335
3,3-dimethylbutan-2-yl N-methyl-N-[3-(phosphonooxymethyl)-2-pyridinyl]carbamate
CID 156628846
2-[[2-[acetyl(methyl)amino]-3-pyridinyl]methyl-(phosphonooxymethoxycarbonyl)amino]acetic acid
CID 176979590
[2-[(4-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol
CID 55134024

Frequently Asked Questions

What is the IUPAC name of chloromethyl N-[3-(hydroxymethyl)-2-pyridinyl]-N-methylcarbamate?
The IUPAC name of chloromethyl N-[3-(hydroxymethyl)-2-pyridinyl]-N-methylcarbamate (CID 142619302) is chloromethyl N-[3-(hydroxymethyl)-2-pyridinyl]-N-methylcarbamate.
What is the SMILES notation for chloromethyl N-[3-(hydroxymethyl)-2-pyridinyl]-N-methylcarbamate?
The canonical SMILES for chloromethyl N-[3-(hydroxymethyl)-2-pyridinyl]-N-methylcarbamate is CN(C(=O)OCCl)c1ncccc1CO.
What is the InChIKey of chloromethyl N-[3-(hydroxymethyl)-2-pyridinyl]-N-methylcarbamate?
The InChIKey is CYXWFNDFXIEFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3/c1-12(9(14)15-6-10)8-7(5-13)3-2-4-11-8/h2-4,13H,5-6H2,1H3.
What are the key properties of chloromethyl N-[3-(hydroxymethyl)-2-pyridinyl]-N-methylcarbamate?
chloromethyl N-[3-(hydroxymethyl)-2-pyridinyl]-N-methylcarbamate has a molecular weight of 230.65 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl N-[3-(hydroxymethyl)-2-pyridinyl]-N-methylcarbamate is sourced from PubChem (CID 142619302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).