(4-chloro-3-methyl-2-pyridinyl) N,N-dimethylcarbamate

C9H11ClN2O2 — CID 141398917

IUPAC(4-chloro-3-methyl-2-pyridinyl) N,N-dimethylcarbamate
SMILESCc1c(Cl)ccnc1OC(=O)N(C)C
InChIInChI=1S/C9H11ClN2O2/c1-6-7(10)4-5-11-8(6)14-9(13)12(2)3/h4-5H,1-3H3
InChIKeySGFJRTVINMKTOV-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.10
Rot. Bonds1

About (4-chloro-3-methyl-2-pyridinyl) N,N-dimethylcarbamate

(4-chloro-3-methyl-2-pyridinyl) N,N-dimethylcarbamate (PubChem CID 141398917) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is (4-chloro-3-methyl-2-pyridinyl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(4-chloro-3-methyl-2-pyridinyl) N,N-dimethylcarbamate
PubChem CID141398917
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name(4-chloro-3-methyl-2-pyridinyl) N,N-dimethylcarbamate
SMILESCc1c(Cl)ccnc1OC(=O)N(C)C
InChIInChI=1S/C9H11ClN2O2/c1-6-7(10)4-5-11-8(6)14-9(13)12(2)3/h4-5H,1-3H3
InChIKeySGFJRTVINMKTOV-UHFFFAOYSA-N
XLogP2.10
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methyl-2-pyridinyl) N,N-dimethylcarbamate?
The IUPAC name of (4-chloro-3-methyl-2-pyridinyl) N,N-dimethylcarbamate (CID 141398917) is (4-chloro-3-methyl-2-pyridinyl) N,N-dimethylcarbamate.
What is the SMILES notation for (4-chloro-3-methyl-2-pyridinyl) N,N-dimethylcarbamate?
The canonical SMILES for (4-chloro-3-methyl-2-pyridinyl) N,N-dimethylcarbamate is Cc1c(Cl)ccnc1OC(=O)N(C)C.
What is the InChIKey of (4-chloro-3-methyl-2-pyridinyl) N,N-dimethylcarbamate?
The InChIKey is SGFJRTVINMKTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-6-7(10)4-5-11-8(6)14-9(13)12(2)3/h4-5H,1-3H3.
What are the key properties of (4-chloro-3-methyl-2-pyridinyl) N,N-dimethylcarbamate?
(4-chloro-3-methyl-2-pyridinyl) N,N-dimethylcarbamate has a molecular weight of 214.65 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methyl-2-pyridinyl) N,N-dimethylcarbamate is sourced from PubChem (CID 141398917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).