6-fluoro-N-[4-(methoxymethyl)phenyl]-3-nitropyridin-2-amine

C13H12FN3O3 — CID 171495426

IUPAC6-fluoro-N-[4-(methoxymethyl)phenyl]-3-nitropyridin-2-amine
SMILESCOCc1ccc(Nc2nc(F)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C13H12FN3O3/c1-20-8-9-2-4-10(5-3-9)15-13-11(17(18)19)6-7-12(14)16-13/h2-7H,8H2,1H3,(H,15,16)
InChIKeyCBNVORDCRNWIBG-UHFFFAOYSA-N
MW277.26 g/mol
LogP3.02
Rot. Bonds5

About 6-fluoro-N-[4-(methoxymethyl)phenyl]-3-nitropyridin-2-amine

6-fluoro-N-[4-(methoxymethyl)phenyl]-3-nitropyridin-2-amine (PubChem CID 171495426) has the molecular formula C13H12FN3O3 and a molecular weight of 277.26 g/mol. Its IUPAC name is 6-fluoro-N-[4-(methoxymethyl)phenyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[4-(methoxymethyl)phenyl]-3-nitropyridin-2-amine
PubChem CID171495426
Molecular FormulaC13H12FN3O3
Molecular Weight277.26 g/mol
Exact Mass277.09
IUPAC Name6-fluoro-N-[4-(methoxymethyl)phenyl]-3-nitropyridin-2-amine
SMILESCOCc1ccc(Nc2nc(F)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C13H12FN3O3/c1-20-8-9-2-4-10(5-3-9)15-13-11(17(18)19)6-7-12(14)16-13/h2-7H,8H2,1H3,(H,15,16)
InChIKeyCBNVORDCRNWIBG-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-[[6-(difluoromethoxy)-3-nitro-2-pyridinyl]amino]phenyl]methyl acetate
CID 171494348
[4-[[6-(difluoromethoxy)-3-nitro-2-pyridinyl]amino]phenyl]methyl acetate;ethane
CID 171494347
2-N-(4-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80760716
[4-[[6-(difluoromethoxy)-3-nitro-2-pyridinyl]amino]phenyl]methanol
CID 171496139
6-(4-ethylanilino)-5-nitropyridine-2-carboxylic acid
CID 114403497
N-(4-bromophenyl)-3-nitro-6-phenylmethoxypyridin-2-amine
CID 67312149
N-[4-(ethoxymethyl)phenyl]-3-nitropyridin-2-amine
CID 133327275
methyl 4-[[6-(dimethylamino)-3-nitro-2-pyridinyl]amino]benzoate
CID 171599354
3-chloro-N-[[4-(methoxymethyl)phenyl]methyl]-4-nitroaniline
CID 82865316
2-N-(4-methoxyphenyl)-3-nitro-6-N-(pyridin-4-ylmethyl)pyridine-2,6-diamine
CID 67995503
methyl 2-fluoro-4-[[3-nitro-6-(trifluoromethyl)-2-pyridinyl]amino]benzoate
CID 172532230
2-N-(4-methoxyphenyl)-6-N-(2-methylpropyl)-3-nitropyridine-2,6-diamine
CID 67995867

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[4-(methoxymethyl)phenyl]-3-nitropyridin-2-amine?
The IUPAC name of 6-fluoro-N-[4-(methoxymethyl)phenyl]-3-nitropyridin-2-amine (CID 171495426) is 6-fluoro-N-[4-(methoxymethyl)phenyl]-3-nitropyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-[4-(methoxymethyl)phenyl]-3-nitropyridin-2-amine?
The canonical SMILES for 6-fluoro-N-[4-(methoxymethyl)phenyl]-3-nitropyridin-2-amine is COCc1ccc(Nc2nc(F)ccc2[N+](=O)[O-])cc1.
What is the InChIKey of 6-fluoro-N-[4-(methoxymethyl)phenyl]-3-nitropyridin-2-amine?
The InChIKey is CBNVORDCRNWIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3/c1-20-8-9-2-4-10(5-3-9)15-13-11(17(18)19)6-7-12(14)16-13/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of 6-fluoro-N-[4-(methoxymethyl)phenyl]-3-nitropyridin-2-amine?
6-fluoro-N-[4-(methoxymethyl)phenyl]-3-nitropyridin-2-amine has a molecular weight of 277.26 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[4-(methoxymethyl)phenyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 171495426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).