[1-(2-chloro-3-pyridinyl)-2-methylpropan-2-yl] carbamate

C10H13ClN2O2 — CID 151373577

IUPAC[1-(2-chloro-3-pyridinyl)-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1cccnc1Cl)OC(N)=O
InChIInChI=1S/C10H13ClN2O2/c1-10(2,15-9(12)14)6-7-4-3-5-13-8(7)11/h3-5H,6H2,1-2H3,(H2,12,14)
InChIKeyOQYLKHPKHPPAMF-UHFFFAOYSA-N
MW228.68 g/mol
LogP2.15
Rot. Bonds3

About [1-(2-chloro-3-pyridinyl)-2-methylpropan-2-yl] carbamate

[1-(2-chloro-3-pyridinyl)-2-methylpropan-2-yl] carbamate (PubChem CID 151373577) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is [1-(2-chloro-3-pyridinyl)-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-(2-chloro-3-pyridinyl)-2-methylpropan-2-yl] carbamate
PubChem CID151373577
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name[1-(2-chloro-3-pyridinyl)-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1cccnc1Cl)OC(N)=O
InChIInChI=1S/C10H13ClN2O2/c1-10(2,15-9(12)14)6-7-4-3-5-13-8(7)11/h3-5H,6H2,1-2H3,(H2,12,14)
InChIKeyOQYLKHPKHPPAMF-UHFFFAOYSA-N
XLogP2.15
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 52.15
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 [1-(2-chloro-3-pyridinyl)-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-(2-chloro-3-pyridinyl)-2-methylpropan-2-yl] carbamate (CID 151373577) is [1-(2-chloro-3-pyridinyl)-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-(2-chloro-3-pyridinyl)-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-(2-chloro-3-pyridinyl)-2-methylpropan-2-yl] carbamate is CC(C)(Cc1cccnc1Cl)OC(N)=O.
What is the InChIKey of [1-(2-chloro-3-pyridinyl)-2-methylpropan-2-yl] carbamate?
The InChIKey is OQYLKHPKHPPAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-10(2,15-9(12)14)6-7-4-3-5-13-8(7)11/h3-5H,6H2,1-2H3,(H2,12,14).
What are the key properties of [1-(2-chloro-3-pyridinyl)-2-methylpropan-2-yl] carbamate?
[1-(2-chloro-3-pyridinyl)-2-methylpropan-2-yl] carbamate has a molecular weight of 228.68 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-3-pyridinyl)-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 151373577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).