9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(4-nitro-2-pyridinyl)propyl]carbamate

C23H21N3O6 — CID 170834163

IUPAC9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(4-nitro-2-pyridinyl)propyl]carbamate
SMILESO=C(NCC(O)C(O)c1cc([N+](=O)[O-])ccn1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H21N3O6/c27-21(22(28)20-11-14(26(30)31)9-10-24-20)12-25-23(29)32-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19,21-22,27-28H,12-13H2,(H,25,29)
InChIKeyGIEZNHCCRKDDID-UHFFFAOYSA-N
MW435.44 g/mol
LogP2.92
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(4-nitro-2-pyridinyl)propyl]carbamate

9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(4-nitro-2-pyridinyl)propyl]carbamate (PubChem CID 170834163) has the molecular formula C23H21N3O6 and a molecular weight of 435.44 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(4-nitro-2-pyridinyl)propyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(4-nitro-2-pyridinyl)propyl]carbamate
PubChem CID170834163
Molecular FormulaC23H21N3O6
Molecular Weight435.44 g/mol
Exact Mass435.14
IUPAC Name9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(4-nitro-2-pyridinyl)propyl]carbamate
SMILESO=C(NCC(O)C(O)c1cc([N+](=O)[O-])ccn1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H21N3O6/c27-21(22(28)20-11-14(26(30)31)9-10-24-20)12-25-23(29)32-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19,21-22,27-28H,12-13H2,(H,25,29)
InChIKeyGIEZNHCCRKDDID-UHFFFAOYSA-N
XLogP2.92
TPSA134.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 52.92
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

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-(5-chloro-3-nitro-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170834543
9H-fluoren-9-ylmethyl N-[3-(3,5-difluoro-4-nitrophenyl)-2,3-dihydroxypropyl]carbamate
CID 170834866
2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2-nitrophenyl]acetic acid
CID 170835132
9H-fluoren-9-ylmethyl N-[4-(4-nitro-2-pyridinyl)but-3-enyl]carbamate
CID 170492215
9H-fluoren-9-ylmethyl N-[3-(2,5-difluoro-4-nitrophenyl)-2,3-dihydroxypropyl]carbamate
CID 170834865
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-[4-(trifluoromethyl)-2-pyridinyl]butyl]carbamate
CID 171887038
9H-fluoren-9-ylmethyl N-[3-(3,4-diaminophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833851
9H-fluoren-9-ylmethyl N-[3-(2,6-dichlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833738
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(3-phenylphenyl)propyl]carbamate
CID 170834973
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propyl]carbamate
CID 170833562
methyl 5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2-methyl-3-nitrobenzoate
CID 170835179

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(4-nitro-2-pyridinyl)propyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(4-nitro-2-pyridinyl)propyl]carbamate (CID 170834163) is 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(4-nitro-2-pyridinyl)propyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(4-nitro-2-pyridinyl)propyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(4-nitro-2-pyridinyl)propyl]carbamate is O=C(NCC(O)C(O)c1cc([N+](=O)[O-])ccn1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(4-nitro-2-pyridinyl)propyl]carbamate?
The InChIKey is GIEZNHCCRKDDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O6/c27-21(22(28)20-11-14(26(30)31)9-10-24-20)12-25-23(29)32-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19,21-22,27-28H,12-13H2,(H,25,29).
What are the key properties of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(4-nitro-2-pyridinyl)propyl]carbamate?
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(4-nitro-2-pyridinyl)propyl]carbamate has a molecular weight of 435.44 g/mol, XLogP of 2.92, 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-[2,3-dihydroxy-3-(4-nitro-2-pyridinyl)propyl]carbamate is sourced from PubChem (CID 170834163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).