5-fluoro-N-[(4-methoxy-3-nitrophenyl)methyl]pyridin-2-amine

C13H12FN3O3 — CID 75498230

IUPAC5-fluoro-N-[(4-methoxy-3-nitrophenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(CNc2ccc(F)cn2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H12FN3O3/c1-20-12-4-2-9(6-11(12)17(18)19)7-15-13-5-3-10(14)8-16-13/h2-6,8H,7H2,1H3,(H,15,16)
InChIKeyBLXDPDRDHJVKGJ-UHFFFAOYSA-N
MW277.26 g/mol
LogP2.75
Rot. Bonds5

About 5-fluoro-N-[(4-methoxy-3-nitrophenyl)methyl]pyridin-2-amine

5-fluoro-N-[(4-methoxy-3-nitrophenyl)methyl]pyridin-2-amine (PubChem CID 75498230) has the molecular formula C13H12FN3O3 and a molecular weight of 277.26 g/mol. Its IUPAC name is 5-fluoro-N-[(4-methoxy-3-nitrophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(4-methoxy-3-nitrophenyl)methyl]pyridin-2-amine
PubChem CID75498230
Molecular FormulaC13H12FN3O3
Molecular Weight277.26 g/mol
Exact Mass277.09
IUPAC Name5-fluoro-N-[(4-methoxy-3-nitrophenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(CNc2ccc(F)cn2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H12FN3O3/c1-20-12-4-2-9(6-11(12)17(18)19)7-15-13-5-3-10(14)8-16-13/h2-6,8H,7H2,1H3,(H,15,16)
InChIKeyBLXDPDRDHJVKGJ-UHFFFAOYSA-N
XLogP2.75
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 52.75
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

5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-amine
CID 83308187
N-cyclopropyl-6-[(4-methoxy-3-nitrophenyl)methylamino]pyridine-3-carboxamide
CID 167906219
3-fluoro-N-[(4-methoxy-3-nitrophenyl)methyl]aniline
CID 29037853
N-[(4-methoxy-3-nitrophenyl)methyl]-1-methylpyrazol-3-amine
CID 79778259
5-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 61311584
4-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]aniline
CID 29053395
1-(4-methoxy-3-nitrophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
CID 119124814
3-chloro-2-fluoro-N-[(4-methoxy-3-nitrophenyl)methyl]aniline
CID 28969175
5-fluoro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 61313135
2-[(4-methoxy-3-nitrophenyl)methyl]-1,1-dimethylhydrazine
CID 83013842
4-[(2-bromo-4-fluorophenoxy)methyl]-1-methoxy-2-nitrobenzene
CID 29272743
5-[(4-methoxy-3-nitrophenoxy)methyl]-N-methylpyridin-2-amine
CID 103202259

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(4-methoxy-3-nitrophenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-fluoro-N-[(4-methoxy-3-nitrophenyl)methyl]pyridin-2-amine (CID 75498230) is 5-fluoro-N-[(4-methoxy-3-nitrophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(4-methoxy-3-nitrophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-fluoro-N-[(4-methoxy-3-nitrophenyl)methyl]pyridin-2-amine is COc1ccc(CNc2ccc(F)cn2)cc1[N+](=O)[O-].
What is the InChIKey of 5-fluoro-N-[(4-methoxy-3-nitrophenyl)methyl]pyridin-2-amine?
The InChIKey is BLXDPDRDHJVKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3/c1-20-12-4-2-9(6-11(12)17(18)19)7-15-13-5-3-10(14)8-16-13/h2-6,8H,7H2,1H3,(H,15,16).
What are the key properties of 5-fluoro-N-[(4-methoxy-3-nitrophenyl)methyl]pyridin-2-amine?
5-fluoro-N-[(4-methoxy-3-nitrophenyl)methyl]pyridin-2-amine has a molecular weight of 277.26 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(4-methoxy-3-nitrophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 75498230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).