[5-(2,5-dichloro-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate

C17H16Cl2N2O2 — CID 175296930

IUPAC[5-(2,5-dichloro-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCC1(C)Cc2cc(-c3cc(Cl)ncc3Cl)ccc2C1OC(N)=O
InChIInChI=1S/C17H16Cl2N2O2/c1-17(2)7-10-5-9(12-6-14(19)21-8-13(12)18)3-4-11(10)15(17)23-16(20)22/h3-6,8,15H,7H2,1-2H3,(H2,20,22)
InChIKeyOQRFAEALDLQMPQ-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.77
Rot. Bonds2

About [5-(2,5-dichloro-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate

[5-(2,5-dichloro-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (PubChem CID 175296930) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is [5-(2,5-dichloro-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.

Molecular Properties

Compound Name[5-(2,5-dichloro-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
PubChem CID175296930
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name[5-(2,5-dichloro-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
SMILESCC1(C)Cc2cc(-c3cc(Cl)ncc3Cl)ccc2C1OC(N)=O
InChIInChI=1S/C17H16Cl2N2O2/c1-17(2)7-10-5-9(12-6-14(19)21-8-13(12)18)3-4-11(10)15(17)23-16(20)22/h3-6,8,15H,7H2,1-2H3,(H2,20,22)
InChIKeyOQRFAEALDLQMPQ-UHFFFAOYSA-N
XLogP4.77
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.77
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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Related Compounds

[2,2-Dimethyl-5-[2-(trifluoromethyl)-4-pyridinyl]-1,3-dihydroinden-1-yl] carbamate
CID 175296704
[6-Fluoro-5-(2-methoxy-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296748
1-[2-[(4-Chloro-3-pyridinyl)methyl]phenyl]ethyl 2,2-dimethylpropanoate
CID 23363543
[2-[(4-chloro-3-pyridinyl)methyl]phenyl]methyl N,N-dimethylcarbamate
CID 23363549
[5-(6-Butoxy-3-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296625
(5-Isoquinolin-4-yl-2,2-dimethyl-1,3-dihydroinden-1-yl) carbamate
CID 175296636
[2,2-Dimethyl-5-[6-(2-methylpropoxy)-3-pyridinyl]-1,3-dihydroinden-1-yl] carbamate
CID 175296660
(5-Isoquinolin-5-yl-2,2-dimethyl-1,3-dihydroinden-1-yl) carbamate
CID 175296707
[2,2-Dimethyl-5-(2-propan-2-yloxy-4-pyridinyl)-1,3-dihydroinden-1-yl] carbamate
CID 175296721
(5-Isoquinolin-8-yl-2,2-dimethyl-1,3-dihydroinden-1-yl) carbamate
CID 175296731
[5-(6-Ethoxy-3-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296772
[2,2-Dimethyl-5-(6-propan-2-yloxy-3-pyridinyl)-1,3-dihydroinden-1-yl] carbamate
CID 175296785

Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dichloro-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The IUPAC name of [5-(2,5-dichloro-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (CID 175296930) is [5-(2,5-dichloro-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.
What is the SMILES notation for [5-(2,5-dichloro-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The canonical SMILES for [5-(2,5-dichloro-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is CC1(C)Cc2cc(-c3cc(Cl)ncc3Cl)ccc2C1OC(N)=O.
What is the InChIKey of [5-(2,5-dichloro-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
The InChIKey is OQRFAEALDLQMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-17(2)7-10-5-9(12-6-14(19)21-8-13(12)18)3-4-11(10)15(17)23-16(20)22/h3-6,8,15H,7H2,1-2H3,(H2,20,22).
What are the key properties of [5-(2,5-dichloro-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?
[5-(2,5-dichloro-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate has a molecular weight of 351.23 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dichloro-4-pyridinyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is sourced from PubChem (CID 175296930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).