9H-fluoren-9-ylmethyl N-[3-(5-chloro-3-nitro-2-pyridinyl)-2,3-dihydroxypropyl]carbamate

C23H20ClN3O6 — CID 170834543

IUPAC9H-fluoren-9-ylmethyl N-[3-(5-chloro-3-nitro-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
SMILESO=C(NCC(O)C(O)c1ncc(Cl)cc1[N+](=O)[O-])OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H20ClN3O6/c24-13-9-19(27(31)32)21(25-10-13)22(29)20(28)11-26-23(30)33-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-10,18,20,22,28-29H,11-12H2,(H,26,30)
InChIKeySXEFUGXBCZTYNL-UHFFFAOYSA-N
MW469.88 g/mol
LogP3.58
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[3-(5-chloro-3-nitro-2-pyridinyl)-2,3-dihydroxypropyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(5-chloro-3-nitro-2-pyridinyl)-2,3-dihydroxypropyl]carbamate (PubChem CID 170834543) has the molecular formula C23H20ClN3O6 and a molecular weight of 469.88 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(5-chloro-3-nitro-2-pyridinyl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(5-chloro-3-nitro-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
PubChem CID170834543
Molecular FormulaC23H20ClN3O6
Molecular Weight469.88 g/mol
Exact Mass469.10
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(5-chloro-3-nitro-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
SMILESO=C(NCC(O)C(O)c1ncc(Cl)cc1[N+](=O)[O-])OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H20ClN3O6/c24-13-9-19(27(31)32)21(25-10-13)22(29)20(28)11-26-23(30)33-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-10,18,20,22,28-29H,11-12H2,(H,26,30)
InChIKeySXEFUGXBCZTYNL-UHFFFAOYSA-N
XLogP3.58
TPSA134.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.88
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[3-(5-chloro-3-nitro-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171856292
9H-fluoren-9-ylmethyl N-[3-(2,5-difluoro-4-nitrophenyl)-2,3-dihydroxypropyl]carbamate
CID 170834865
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(5-nitro-1H-imidazol-4-yl)propyl]carbamate
CID 170833984
9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170833909
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(4-nitro-2-pyridinyl)propyl]carbamate
CID 170834163
2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2-nitrophenyl]acetic acid
CID 170835132
9H-fluoren-9-ylmethyl N-[3-(2,6-dichlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833738
9H-fluoren-9-ylmethyl N-[3-(3-amino-5-chlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833868
9H-fluoren-9-ylmethyl N-[3-(3,5-difluoro-4-nitrophenyl)-2,3-dihydroxypropyl]carbamate
CID 170834866
9H-fluoren-9-ylmethyl N-[4-(6-amino-2-chloro-5-nitro-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171887354
methyl 5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2-methyl-3-nitrobenzoate
CID 170835179
9H-fluoren-9-ylmethyl N-[3-(2-amino-3,5-dichlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170834242

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(5-chloro-3-nitro-2-pyridinyl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(5-chloro-3-nitro-2-pyridinyl)-2,3-dihydroxypropyl]carbamate (CID 170834543) is 9H-fluoren-9-ylmethyl N-[3-(5-chloro-3-nitro-2-pyridinyl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(5-chloro-3-nitro-2-pyridinyl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(5-chloro-3-nitro-2-pyridinyl)-2,3-dihydroxypropyl]carbamate is O=C(NCC(O)C(O)c1ncc(Cl)cc1[N+](=O)[O-])OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(5-chloro-3-nitro-2-pyridinyl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is SXEFUGXBCZTYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O6/c24-13-9-19(27(31)32)21(25-10-13)22(29)20(28)11-26-23(30)33-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-10,18,20,22,28-29H,11-12H2,(H,26,30).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(5-chloro-3-nitro-2-pyridinyl)-2,3-dihydroxypropyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(5-chloro-3-nitro-2-pyridinyl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 469.88 g/mol, XLogP of 3.58, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(5-chloro-3-nitro-2-pyridinyl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170834543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).