[1-(2-chloro-3-iodo-4-pyridinyl)-2-methylpropan-2-yl] carbamate

C10H12ClIN2O2 — CID 151731421

IUPAC[1-(2-chloro-3-iodo-4-pyridinyl)-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1ccnc(Cl)c1I)OC(N)=O
InChIInChI=1S/C10H12ClIN2O2/c1-10(2,16-9(13)15)5-6-3-4-14-8(11)7(6)12/h3-4H,5H2,1-2H3,(H2,13,15)
InChIKeyRKQFFKBAJIZGFE-UHFFFAOYSA-N
MW354.58 g/mol
LogP2.76
Rot. Bonds3

About [1-(2-chloro-3-iodo-4-pyridinyl)-2-methylpropan-2-yl] carbamate

[1-(2-chloro-3-iodo-4-pyridinyl)-2-methylpropan-2-yl] carbamate (PubChem CID 151731421) has the molecular formula C10H12ClIN2O2 and a molecular weight of 354.58 g/mol. Its IUPAC name is [1-(2-chloro-3-iodo-4-pyridinyl)-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-(2-chloro-3-iodo-4-pyridinyl)-2-methylpropan-2-yl] carbamate
PubChem CID151731421
Molecular FormulaC10H12ClIN2O2
Molecular Weight354.58 g/mol
Exact Mass353.96
IUPAC Name[1-(2-chloro-3-iodo-4-pyridinyl)-2-methylpropan-2-yl] carbamate
SMILESCC(C)(Cc1ccnc(Cl)c1I)OC(N)=O
InChIInChI=1S/C10H12ClIN2O2/c1-10(2,16-9(13)15)5-6-3-4-14-8(11)7(6)12/h3-4H,5H2,1-2H3,(H2,13,15)
InChIKeyRKQFFKBAJIZGFE-UHFFFAOYSA-N
XLogP2.76
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.58
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[1-(2-chloro-3-pyridinyl)-2-methylpropan-2-yl] carbamate
CID 151373577
[1-(2-fluoro-4-iodo-3-pyridinyl)-2-methylpropan-2-yl] carbamate
CID 151106232
[1-(4-iodophenyl)-2-methylpropan-2-yl] carbamate
CID 151461309
[1-[2-[1-(4-chlorophenyl)-1-hydroxypropyl]-3-pyridinyl]-2-methylpropan-2-yl] carbamate
CID 164562669
[1-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate
CID 152688524
[1-(2-amino-4-methylphenyl)-2-methylpropan-2-yl] carbamate
CID 151911054
[1-[6-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate
CID 150360244
[1-[4-(diethylamino)-2,5-dimethylphenyl]-2-methylpropan-2-yl] carbamate
CID 174496927
[1-[5-(2-bromoethyl)pyrazin-2-yl]-2-methylpropan-2-yl] carbamate
CID 174478259
[1-[4-[2-(2-chloropyrimidin-4-yl)-1-benzothiophen-7-yl]-6-fluoro-3-pyridinyl]-2-methylpropan-2-yl] carbamate
CID 150307986
[1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]-2-methylpropan-2-yl] carbamate
CID 174471009
N-(2-chloro-3-iodo-4-pyridinyl)-2-methylpropanamide
CID 136570789

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-3-iodo-4-pyridinyl)-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-(2-chloro-3-iodo-4-pyridinyl)-2-methylpropan-2-yl] carbamate (CID 151731421) is [1-(2-chloro-3-iodo-4-pyridinyl)-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-(2-chloro-3-iodo-4-pyridinyl)-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-(2-chloro-3-iodo-4-pyridinyl)-2-methylpropan-2-yl] carbamate is CC(C)(Cc1ccnc(Cl)c1I)OC(N)=O.
What is the InChIKey of [1-(2-chloro-3-iodo-4-pyridinyl)-2-methylpropan-2-yl] carbamate?
The InChIKey is RKQFFKBAJIZGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClIN2O2/c1-10(2,16-9(13)15)5-6-3-4-14-8(11)7(6)12/h3-4H,5H2,1-2H3,(H2,13,15).
What are the key properties of [1-(2-chloro-3-iodo-4-pyridinyl)-2-methylpropan-2-yl] carbamate?
[1-(2-chloro-3-iodo-4-pyridinyl)-2-methylpropan-2-yl] carbamate has a molecular weight of 354.58 g/mol, XLogP of 2.76, 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-iodo-4-pyridinyl)-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 151731421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).