9H-fluoren-9-ylmethyl N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]carbamate

C23H18BrClN2O2 — CID 169470634

IUPAC9H-fluoren-9-ylmethyl N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1cc(Cl)ncc1Br)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H18BrClN2O2/c24-21-13-27-22(25)12-15(21)6-5-11-26-23(28)29-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-10,12-13,20H,11,14H2,(H,26,28)
InChIKeyHXYVYZKPSWLINR-UHFFFAOYSA-N
MW469.77 g/mol
LogP6.05
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]carbamate (PubChem CID 169470634) has the molecular formula C23H18BrClN2O2 and a molecular weight of 469.77 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]carbamate
PubChem CID169470634
Molecular FormulaC23H18BrClN2O2
Molecular Weight469.77 g/mol
Exact Mass468.02
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1cc(Cl)ncc1Br)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H18BrClN2O2/c24-21-13-27-22(25)12-15(21)6-5-11-26-23(28)29-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-10,12-13,20H,11,14H2,(H,26,28)
InChIKeyHXYVYZKPSWLINR-UHFFFAOYSA-N
XLogP6.05
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.77
LogP ≤ 56.05
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

9H-fluoren-9-ylmethyl N-[3-(2-chloro-5-fluoro-4-pyridinyl)prop-2-enyl]carbamate
CID 169470633
2-chloro-5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]pyridine-4-carboxylic acid
CID 169469960
9H-fluoren-9-ylmethyl N-[3-(2,5-dichloro-3-pyridinyl)prop-2-enyl]carbamate
CID 169469280
9H-fluoren-9-ylmethyl N-[3-(3-amino-6-chloropyridazin-4-yl)prop-2-enyl]carbamate
CID 169469327
9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-4-pyridinyl)prop-2-enyl]carbamate
CID 169470944
9H-fluoren-9-ylmethyl N-[3-(5-bromo-2-hydroxyphenyl)prop-2-enyl]carbamate
CID 169470620
9H-fluoren-9-ylmethyl N-[3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enyl]carbamate
CID 169470836
9H-fluoren-9-ylmethyl N-[3-(2-amino-3,5-dichlorophenyl)prop-2-enyl]carbamate
CID 169469598
9H-fluoren-9-ylmethyl N-[3-(3-bromo-2-fluorophenyl)prop-2-enyl]carbamate
CID 169470824
9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate
CID 169469017
9H-fluoren-9-ylmethyl N-[3-(2-chloro-5-nitro-3-pyridinyl)prop-2-enyl]carbamate
CID 169469901
4-chloro-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169469792

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]carbamate (CID 169470634) is 9H-fluoren-9-ylmethyl N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]carbamate is O=C(NCC=Cc1cc(Cl)ncc1Br)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]carbamate?
The InChIKey is HXYVYZKPSWLINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrClN2O2/c24-21-13-27-22(25)12-15(21)6-5-11-26-23(28)29-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-10,12-13,20H,11,14H2,(H,26,28).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]carbamate has a molecular weight of 469.77 g/mol, XLogP of 6.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169470634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).