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

C13H12FN3O3 — CID 114416743

IUPAC5-[(2-fluoro-5-methyl-4-nitrophenoxy)methyl]pyridin-2-amine
SMILESCc1cc(OCc2ccc(N)nc2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H12FN3O3/c1-8-4-12(10(14)5-11(8)17(18)19)20-7-9-2-3-13(15)16-6-9/h2-6H,7H2,1H3,(H2,15,16)
InChIKeyHOHPWEOZCGKLCL-UHFFFAOYSA-N
MW277.26 g/mol
LogP2.60
Rot. Bonds4

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

5-[(2-fluoro-5-methyl-4-nitrophenoxy)methyl]pyridin-2-amine (PubChem CID 114416743) has the molecular formula C13H12FN3O3 and a molecular weight of 277.26 g/mol. Its IUPAC name is 5-[(2-fluoro-5-methyl-4-nitrophenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(2-fluoro-5-methyl-4-nitrophenoxy)methyl]pyridin-2-amine
PubChem CID114416743
Molecular FormulaC13H12FN3O3
Molecular Weight277.26 g/mol
Exact Mass277.09
IUPAC Name5-[(2-fluoro-5-methyl-4-nitrophenoxy)methyl]pyridin-2-amine
SMILESCc1cc(OCc2ccc(N)nc2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H12FN3O3/c1-8-4-12(10(14)5-11(8)17(18)19)20-7-9-2-3-13(15)16-6-9/h2-6H,7H2,1H3,(H2,15,16)
InChIKeyHOHPWEOZCGKLCL-UHFFFAOYSA-N
XLogP2.60
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 52.60
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

1-fluoro-4-methyl-5-nitro-2-phenylmethoxybenzene
CID 22414647
5-[(3-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine
CID 112687927
5-[(2-methyl-3-nitrophenoxy)methyl]pyridin-2-amine
CID 62195557
5-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-2-amine
CID 104831737
5-[(2,5-difluorophenoxy)methyl]pyridin-2-amine
CID 55168899
1-amino-3-(2-fluoro-5-methyl-4-nitrophenoxy)propan-2-ol
CID 114416438
[4-(2-fluoro-5-methyl-4-nitrophenoxy)-3-methylphenyl]methanamine
CID 114417368
[5-[(2-fluoro-5-methyl-4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 114418086
2-(2-fluoro-5-methyl-4-nitrophenoxy)acetic acid
CID 114416258
5-[(2-methylphenoxy)methyl]pyridin-2-amine
CID 62195123
1-[(6-amino-3-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one
CID 79355034
4-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-2-amine
CID 114418383

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoro-5-methyl-4-nitrophenoxy)methyl]pyridin-2-amine?
The IUPAC name of 5-[(2-fluoro-5-methyl-4-nitrophenoxy)methyl]pyridin-2-amine (CID 114416743) is 5-[(2-fluoro-5-methyl-4-nitrophenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 5-[(2-fluoro-5-methyl-4-nitrophenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 5-[(2-fluoro-5-methyl-4-nitrophenoxy)methyl]pyridin-2-amine is Cc1cc(OCc2ccc(N)nc2)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 5-[(2-fluoro-5-methyl-4-nitrophenoxy)methyl]pyridin-2-amine?
The InChIKey is HOHPWEOZCGKLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3/c1-8-4-12(10(14)5-11(8)17(18)19)20-7-9-2-3-13(15)16-6-9/h2-6H,7H2,1H3,(H2,15,16).
What are the key properties of 5-[(2-fluoro-5-methyl-4-nitrophenoxy)methyl]pyridin-2-amine?
5-[(2-fluoro-5-methyl-4-nitrophenoxy)methyl]pyridin-2-amine has a molecular weight of 277.26 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoro-5-methyl-4-nitrophenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 114416743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).