(2-methyl-3-pyridinyl) carbamate

C7H8N2O2 — CID 54131118

IUPAC(2-methyl-3-pyridinyl) carbamate
SMILESCc1ncccc1OC(N)=O
InChIInChI=1S/C7H8N2O2/c1-5-6(11-7(8)10)3-2-4-9-5/h2-4H,1H3,(H2,8,10)
InChIKeyNULHVLUCODXTBQ-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.85
Rot. Bonds1

About (2-methyl-3-pyridinyl) carbamate

(2-methyl-3-pyridinyl) carbamate (PubChem CID 54131118) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is (2-methyl-3-pyridinyl) carbamate.

Molecular Properties

Compound Name(2-methyl-3-pyridinyl) carbamate
PubChem CID54131118
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name(2-methyl-3-pyridinyl) carbamate
SMILESCc1ncccc1OC(N)=O
InChIInChI=1S/C7H8N2O2/c1-5-6(11-7(8)10)3-2-4-9-5/h2-4H,1H3,(H2,8,10)
InChIKeyNULHVLUCODXTBQ-UHFFFAOYSA-N
XLogP0.85
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-pyridinyl) carbamate?
The IUPAC name of (2-methyl-3-pyridinyl) carbamate (CID 54131118) is (2-methyl-3-pyridinyl) carbamate.
What is the SMILES notation for (2-methyl-3-pyridinyl) carbamate?
The canonical SMILES for (2-methyl-3-pyridinyl) carbamate is Cc1ncccc1OC(N)=O.
What is the InChIKey of (2-methyl-3-pyridinyl) carbamate?
The InChIKey is NULHVLUCODXTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-5-6(11-7(8)10)3-2-4-9-5/h2-4H,1H3,(H2,8,10).
What are the key properties of (2-methyl-3-pyridinyl) carbamate?
(2-methyl-3-pyridinyl) carbamate has a molecular weight of 152.15 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-pyridinyl) carbamate is sourced from PubChem (CID 54131118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).