1-(4-fluoro-2-nitro-5-phenylmethoxy-3-pyridinyl)propan-2-one

C15H13FN2O4 — CID 53441759

IUPAC1-(4-fluoro-2-nitro-5-phenylmethoxy-3-pyridinyl)propan-2-one
SMILESCC(=O)Cc1c([N+](=O)[O-])ncc(OCc2ccccc2)c1F
InChIInChI=1S/C15H13FN2O4/c1-10(19)7-12-14(16)13(8-17-15(12)18(20)21)22-9-11-5-3-2-4-6-11/h2-6,8H,7,9H2,1H3
InChIKeySATVJBKJCKMBOS-UHFFFAOYSA-N
MW304.28 g/mol
LogP2.84
Rot. Bonds6

About 1-(4-fluoro-2-nitro-5-phenylmethoxy-3-pyridinyl)propan-2-one

1-(4-fluoro-2-nitro-5-phenylmethoxy-3-pyridinyl)propan-2-one (PubChem CID 53441759) has the molecular formula C15H13FN2O4 and a molecular weight of 304.28 g/mol. Its IUPAC name is 1-(4-fluoro-2-nitro-5-phenylmethoxy-3-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1-(4-fluoro-2-nitro-5-phenylmethoxy-3-pyridinyl)propan-2-one
PubChem CID53441759
Molecular FormulaC15H13FN2O4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name1-(4-fluoro-2-nitro-5-phenylmethoxy-3-pyridinyl)propan-2-one
SMILESCC(=O)Cc1c([N+](=O)[O-])ncc(OCc2ccccc2)c1F
InChIInChI=1S/C15H13FN2O4/c1-10(19)7-12-14(16)13(8-17-15(12)18(20)21)22-9-11-5-3-2-4-6-11/h2-6,8H,7,9H2,1H3
InChIKeySATVJBKJCKMBOS-UHFFFAOYSA-N
XLogP2.84
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1,3,4-trifluoro-2-nitro-5-phenylmethoxybenzene
CID 146529231
3-[2-nitro-3-phenylmethoxy-6-(trifluoromethyl)phenyl]-2-oxopropanoate
CID 21194600
1,3-difluoro-5-nitro-2,4,6-tris(phenylmethoxy)benzene
CID 10743231
2-fluoro-6-methyl-3-phenylmethoxybenzoic acid
CID 67053712
1-(3-bromo-2-nitro-4-phenylmethoxyphenyl)ethanone
CID 91863246
4-fluoro-3-methyl-5-phenylmethoxypyridine;propanoic acid
CID 175513223
1-methyl-2-nitro-3-phenylmethoxybenzene
CID 3344187
ethyl 3-(6-methyl-2-nitro-3-phenylmethoxyphenyl)-2-oxopropanoate
CID 139724453
1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride
CID 172689166
(2,3,4,5,6-pentafluorophenyl) 2-(2-phenylmethoxyphenyl)acetate
CID 87805473
6-acetyl-2-fluoro-3-phenylmethoxybenzoic acid
CID 91863726
3-methoxy-2-nitro-6-phenylmethoxybenzoyl chloride
CID 71322915

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-nitro-5-phenylmethoxy-3-pyridinyl)propan-2-one?
The IUPAC name of 1-(4-fluoro-2-nitro-5-phenylmethoxy-3-pyridinyl)propan-2-one (CID 53441759) is 1-(4-fluoro-2-nitro-5-phenylmethoxy-3-pyridinyl)propan-2-one.
What is the SMILES notation for 1-(4-fluoro-2-nitro-5-phenylmethoxy-3-pyridinyl)propan-2-one?
The canonical SMILES for 1-(4-fluoro-2-nitro-5-phenylmethoxy-3-pyridinyl)propan-2-one is CC(=O)Cc1c([N+](=O)[O-])ncc(OCc2ccccc2)c1F.
What is the InChIKey of 1-(4-fluoro-2-nitro-5-phenylmethoxy-3-pyridinyl)propan-2-one?
The InChIKey is SATVJBKJCKMBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4/c1-10(19)7-12-14(16)13(8-17-15(12)18(20)21)22-9-11-5-3-2-4-6-11/h2-6,8H,7,9H2,1H3.
What are the key properties of 1-(4-fluoro-2-nitro-5-phenylmethoxy-3-pyridinyl)propan-2-one?
1-(4-fluoro-2-nitro-5-phenylmethoxy-3-pyridinyl)propan-2-one has a molecular weight of 304.28 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-nitro-5-phenylmethoxy-3-pyridinyl)propan-2-one is sourced from PubChem (CID 53441759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).