5-[(3-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine

C12H10FN3O3 — CID 112687927

IUPAC5-[(3-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine
SMILESNc1ccc(COc2ccc([N+](=O)[O-])c(F)c2)cn1
InChIInChI=1S/C12H10FN3O3/c13-10-5-9(2-3-11(10)16(17)18)19-7-8-1-4-12(14)15-6-8/h1-6H,7H2,(H2,14,15)
InChIKeyDENVTLBIAQNPRB-UHFFFAOYSA-N
MW263.23 g/mol
LogP2.29
Rot. Bonds4

About 5-[(3-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine

5-[(3-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine (PubChem CID 112687927) has the molecular formula C12H10FN3O3 and a molecular weight of 263.23 g/mol. Its IUPAC name is 5-[(3-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(3-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine
PubChem CID112687927
Molecular FormulaC12H10FN3O3
Molecular Weight263.23 g/mol
Exact Mass263.07
IUPAC Name5-[(3-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine
SMILESNc1ccc(COc2ccc([N+](=O)[O-])c(F)c2)cn1
InChIInChI=1S/C12H10FN3O3/c13-10-5-9(2-3-11(10)16(17)18)19-7-8-1-4-12(14)15-6-8/h1-6H,7H2,(H2,14,15)
InChIKeyDENVTLBIAQNPRB-UHFFFAOYSA-N
XLogP2.29
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
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

3-[(3-fluoro-4-nitrophenoxy)methyl]pyridine
CID 22010197
5-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-2-amine
CID 104831737
5-[(2-fluoro-5-methyl-4-nitrophenoxy)methyl]pyridin-2-amine
CID 114416743
2-fluoro-4-[(3-fluoro-4-nitrophenoxy)methyl]-1-methoxybenzene
CID 78978484
4-[(4-bromophenoxy)methyl]-2-fluoro-1-nitrobenzene
CID 79022269
3-[(3-fluoro-4-nitrophenyl)methoxy]pyridine
CID 112558818
3-bromo-5-[(3-fluoro-4-nitrophenyl)methoxy]pyridine
CID 79022162
4-[(4-fluorophenyl)methoxy]-2-nitroaniline
CID 69306114
5-[(2-methyl-3-nitrophenoxy)methyl]pyridin-2-amine
CID 62195557
5-[(3-methyl-4-nitrophenoxy)methyl]pyrazin-2-amine
CID 103057914
5-[(3-bromophenoxy)methyl]pyridin-2-amine
CID 62193709
benzyl 2-(3-fluoro-4-nitrophenoxy)acetate
CID 118213600

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine?
The IUPAC name of 5-[(3-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine (CID 112687927) is 5-[(3-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 5-[(3-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 5-[(3-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine is Nc1ccc(COc2ccc([N+](=O)[O-])c(F)c2)cn1.
What is the InChIKey of 5-[(3-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine?
The InChIKey is DENVTLBIAQNPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O3/c13-10-5-9(2-3-11(10)16(17)18)19-7-8-1-4-12(14)15-6-8/h1-6H,7H2,(H2,14,15).
What are the key properties of 5-[(3-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine?
5-[(3-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine has a molecular weight of 263.23 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 112687927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).