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

C7H7ClN2O2 — CID 89310539

IUPAC(2-chloro-4-methyl-3-pyridinyl) carbamate
SMILESCc1ccnc(Cl)c1OC(N)=O
InChIInChI=1S/C7H7ClN2O2/c1-4-2-3-10-6(8)5(4)12-7(9)11/h2-3H,1H3,(H2,9,11)
InChIKeyAXZOFPVWKIIGLH-UHFFFAOYSA-N
MW186.60 g/mol
LogP1.50
Rot. Bonds1

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

(2-chloro-4-methyl-3-pyridinyl) carbamate (PubChem CID 89310539) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is (2-chloro-4-methyl-3-pyridinyl) carbamate.

Molecular Properties

Compound Name(2-chloro-4-methyl-3-pyridinyl) carbamate
PubChem CID89310539
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Name(2-chloro-4-methyl-3-pyridinyl) carbamate
SMILESCc1ccnc(Cl)c1OC(N)=O
InChIInChI=1S/C7H7ClN2O2/c1-4-2-3-10-6(8)5(4)12-7(9)11/h2-3H,1H3,(H2,9,11)
InChIKeyAXZOFPVWKIIGLH-UHFFFAOYSA-N
XLogP1.50
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 51.50
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 (2-chloro-4-methyl-3-pyridinyl) carbamate?
The IUPAC name of (2-chloro-4-methyl-3-pyridinyl) carbamate (CID 89310539) is (2-chloro-4-methyl-3-pyridinyl) carbamate.
What is the SMILES notation for (2-chloro-4-methyl-3-pyridinyl) carbamate?
The canonical SMILES for (2-chloro-4-methyl-3-pyridinyl) carbamate is Cc1ccnc(Cl)c1OC(N)=O.
What is the InChIKey of (2-chloro-4-methyl-3-pyridinyl) carbamate?
The InChIKey is AXZOFPVWKIIGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c1-4-2-3-10-6(8)5(4)12-7(9)11/h2-3H,1H3,(H2,9,11).
What are the key properties of (2-chloro-4-methyl-3-pyridinyl) carbamate?
(2-chloro-4-methyl-3-pyridinyl) carbamate has a molecular weight of 186.60 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methyl-3-pyridinyl) carbamate is sourced from PubChem (CID 89310539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).