(6-chloro-2-methyl-3-pyridinyl)methyl carbamate

C8H9ClN2O2 — CID 87556011

IUPAC(6-chloro-2-methyl-3-pyridinyl)methyl carbamate
SMILESCc1nc(Cl)ccc1COC(N)=O
InChIInChI=1S/C8H9ClN2O2/c1-5-6(4-13-8(10)12)2-3-7(9)11-5/h2-3H,4H2,1H3,(H2,10,12)
InChIKeyCVMBMRICQZLFTL-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.64
Rot. Bonds2

About (6-chloro-2-methyl-3-pyridinyl)methyl carbamate

(6-chloro-2-methyl-3-pyridinyl)methyl carbamate (PubChem CID 87556011) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is (6-chloro-2-methyl-3-pyridinyl)methyl carbamate.

Molecular Properties

Compound Name(6-chloro-2-methyl-3-pyridinyl)methyl carbamate
PubChem CID87556011
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Name(6-chloro-2-methyl-3-pyridinyl)methyl carbamate
SMILESCc1nc(Cl)ccc1COC(N)=O
InChIInChI=1S/C8H9ClN2O2/c1-5-6(4-13-8(10)12)2-3-7(9)11-5/h2-3H,4H2,1H3,(H2,10,12)
InChIKeyCVMBMRICQZLFTL-UHFFFAOYSA-N
XLogP1.64
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.64
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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Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-methyl-3-pyridinyl)methyl carbamate?
The IUPAC name of (6-chloro-2-methyl-3-pyridinyl)methyl carbamate (CID 87556011) is (6-chloro-2-methyl-3-pyridinyl)methyl carbamate.
What is the SMILES notation for (6-chloro-2-methyl-3-pyridinyl)methyl carbamate?
The canonical SMILES for (6-chloro-2-methyl-3-pyridinyl)methyl carbamate is Cc1nc(Cl)ccc1COC(N)=O.
What is the InChIKey of (6-chloro-2-methyl-3-pyridinyl)methyl carbamate?
The InChIKey is CVMBMRICQZLFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-5-6(4-13-8(10)12)2-3-7(9)11-5/h2-3H,4H2,1H3,(H2,10,12).
What are the key properties of (6-chloro-2-methyl-3-pyridinyl)methyl carbamate?
(6-chloro-2-methyl-3-pyridinyl)methyl carbamate has a molecular weight of 200.62 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-methyl-3-pyridinyl)methyl carbamate is sourced from PubChem (CID 87556011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).