N-(3,5-difluoro-4-methoxyphenyl)-3-nitropyridin-2-amine

C12H9F2N3O3 — CID 47059552

IUPACN-(3,5-difluoro-4-methoxyphenyl)-3-nitropyridin-2-amine
SMILESCOc1c(F)cc(Nc2ncccc2[N+](=O)[O-])cc1F
InChIInChI=1S/C12H9F2N3O3/c1-20-11-8(13)5-7(6-9(11)14)16-12-10(17(18)19)3-2-4-15-12/h2-6H,1H3,(H,15,16)
InChIKeyMPLHHGQCDRYYJW-UHFFFAOYSA-N
MW281.22 g/mol
LogP3.02
Rot. Bonds4

About N-(3,5-difluoro-4-methoxyphenyl)-3-nitropyridin-2-amine

N-(3,5-difluoro-4-methoxyphenyl)-3-nitropyridin-2-amine (PubChem CID 47059552) has the molecular formula C12H9F2N3O3 and a molecular weight of 281.22 g/mol. Its IUPAC name is N-(3,5-difluoro-4-methoxyphenyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(3,5-difluoro-4-methoxyphenyl)-3-nitropyridin-2-amine
PubChem CID47059552
Molecular FormulaC12H9F2N3O3
Molecular Weight281.22 g/mol
Exact Mass281.06
IUPAC NameN-(3,5-difluoro-4-methoxyphenyl)-3-nitropyridin-2-amine
SMILESCOc1c(F)cc(Nc2ncccc2[N+](=O)[O-])cc1F
InChIInChI=1S/C12H9F2N3O3/c1-20-11-8(13)5-7(6-9(11)14)16-12-10(17(18)19)3-2-4-15-12/h2-6H,1H3,(H,15,16)
InChIKeyMPLHHGQCDRYYJW-UHFFFAOYSA-N
XLogP3.02
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.22
LogP ≤ 53.02
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-8-methoxy-7-nitroquinoline
CID 166150140
N-(4,5-dimethoxy-2-methylphenyl)-3-nitropyridin-2-amine
CID 40677036
3-nitro-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 178120441
(4-methoxyphenyl)-[3-[(3-nitro-2-pyridinyl)amino]phenyl]methanone
CID 22724521
N-methyl-3-nitropyridin-2-amine
CID 556349
methyl 2-[2-methyl-4-[(3-nitro-2-pyridinyl)amino]phenyl]acetate
CID 67021570
3-nitro-N-(2,4,6-trimethylphenyl)pyridin-2-amine
CID 23279474
N-[4-(ethoxymethyl)phenyl]-3-nitropyridin-2-amine
CID 133327275
N-[(3-fluoro-5-methoxyphenyl)methyl]-3-nitropyridin-2-amine
CID 122158489
(3-nitro-2-pyridinyl)hydrazine
CID 3578935
N-[4-fluoro-2-(trifluoromethyl)phenyl]-3-nitropyridin-2-amine
CID 68572505
[3-[(3-nitro-2-pyridinyl)amino]phenyl]-phenylmethanone
CID 22724326

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-methoxyphenyl)-3-nitropyridin-2-amine?
The IUPAC name of N-(3,5-difluoro-4-methoxyphenyl)-3-nitropyridin-2-amine (CID 47059552) is N-(3,5-difluoro-4-methoxyphenyl)-3-nitropyridin-2-amine.
What is the SMILES notation for N-(3,5-difluoro-4-methoxyphenyl)-3-nitropyridin-2-amine?
The canonical SMILES for N-(3,5-difluoro-4-methoxyphenyl)-3-nitropyridin-2-amine is COc1c(F)cc(Nc2ncccc2[N+](=O)[O-])cc1F.
What is the InChIKey of N-(3,5-difluoro-4-methoxyphenyl)-3-nitropyridin-2-amine?
The InChIKey is MPLHHGQCDRYYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O3/c1-20-11-8(13)5-7(6-9(11)14)16-12-10(17(18)19)3-2-4-15-12/h2-6H,1H3,(H,15,16).
What are the key properties of N-(3,5-difluoro-4-methoxyphenyl)-3-nitropyridin-2-amine?
N-(3,5-difluoro-4-methoxyphenyl)-3-nitropyridin-2-amine has a molecular weight of 281.22 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-methoxyphenyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 47059552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).