ethyl N-(2-chloro-4-methyl-3-pyridinyl)carbamate

C9H11ClN2O2 — CID 65490501

IUPACethyl N-(2-chloro-4-methyl-3-pyridinyl)carbamate
SMILESCCOC(=O)Nc1c(C)ccnc1Cl
InChIInChI=1S/C9H11ClN2O2/c1-3-14-9(13)12-7-6(2)4-5-11-8(7)10/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyRFHLDARBPOPGOE-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.61
Rot. Bonds2

About ethyl N-(2-chloro-4-methyl-3-pyridinyl)carbamate

ethyl N-(2-chloro-4-methyl-3-pyridinyl)carbamate (PubChem CID 65490501) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is ethyl N-(2-chloro-4-methyl-3-pyridinyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-chloro-4-methyl-3-pyridinyl)carbamate
PubChem CID65490501
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Nameethyl N-(2-chloro-4-methyl-3-pyridinyl)carbamate
SMILESCCOC(=O)Nc1c(C)ccnc1Cl
InChIInChI=1S/C9H11ClN2O2/c1-3-14-9(13)12-7-6(2)4-5-11-8(7)10/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyRFHLDARBPOPGOE-UHFFFAOYSA-N
XLogP2.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-4-methyl-3-pyridinyl)carbamic acid
CID 88545589
2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide
CID 79812641
2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide
CID 79812255
3-[(2-chloro-4-methyl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 65490498
2-(aminomethyl)-N-(2-chloro-4-methyl-3-pyridinyl)-2-ethylbutanamide
CID 115432614
N-(2-chloro-4-methyl-3-pyridinyl)-3-(methylamino)propanamide
CID 65489682
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide
CID 65491474
5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylpentanamide
CID 82688748
2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-5-methoxypentanamide
CID 81102079
butyl N-(2-chloro-4-formyl-3-pyridinyl)carbamate
CID 172552242
6-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylhexanamide
CID 65490877
4-(chloromethyl)-N-(2-chloro-4-methyl-3-pyridinyl)benzamide
CID 65489874

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-chloro-4-methyl-3-pyridinyl)carbamate?
The IUPAC name of ethyl N-(2-chloro-4-methyl-3-pyridinyl)carbamate (CID 65490501) is ethyl N-(2-chloro-4-methyl-3-pyridinyl)carbamate.
What is the SMILES notation for ethyl N-(2-chloro-4-methyl-3-pyridinyl)carbamate?
The canonical SMILES for ethyl N-(2-chloro-4-methyl-3-pyridinyl)carbamate is CCOC(=O)Nc1c(C)ccnc1Cl.
What is the InChIKey of ethyl N-(2-chloro-4-methyl-3-pyridinyl)carbamate?
The InChIKey is RFHLDARBPOPGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-3-14-9(13)12-7-6(2)4-5-11-8(7)10/h4-5H,3H2,1-2H3,(H,12,13).
What are the key properties of ethyl N-(2-chloro-4-methyl-3-pyridinyl)carbamate?
ethyl N-(2-chloro-4-methyl-3-pyridinyl)carbamate has a molecular weight of 214.65 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-chloro-4-methyl-3-pyridinyl)carbamate is sourced from PubChem (CID 65490501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).