3-nitro-6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine

C12H8F3N3O3 — CID 135353115

IUPAC3-nitro-6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESNc1nc(-c2ccc(OC(F)(F)F)cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H8F3N3O3/c13-12(14,15)21-8-3-1-7(2-4-8)9-5-6-10(18(19)20)11(16)17-9/h1-6H,(H2,16,17)
InChIKeyGFVFUTUTJXUUNS-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.14
Rot. Bonds3

About 3-nitro-6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine

3-nitro-6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine (PubChem CID 135353115) has the molecular formula C12H8F3N3O3 and a molecular weight of 299.21 g/mol. Its IUPAC name is 3-nitro-6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-nitro-6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
PubChem CID135353115
Molecular FormulaC12H8F3N3O3
Molecular Weight299.21 g/mol
Exact Mass299.05
IUPAC Name3-nitro-6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESNc1nc(-c2ccc(OC(F)(F)F)cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H8F3N3O3/c13-12(14,15)21-8-3-1-7(2-4-8)9-5-6-10(18(19)20)11(16)17-9/h1-6H,(H2,16,17)
InChIKeyGFVFUTUTJXUUNS-UHFFFAOYSA-N
XLogP3.14
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.14
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

N-[(4-methoxyphenyl)methyl]-5-nitropyridin-2-amine
CID 3455584
N-[(4-methoxyphenyl)methyl]-3-nitropyridin-2-amine
CID 4269084
2-[6-(4-Methoxyphenyl)-2-pyridinyl]guanidine
CID 145951027
5-(4-(Trifluoromethoxy)phenyl)pyrazin-2-amine
CID 50969211
2-(4-Methoxyphenyl)-6-(4-nitrophenyl)-4-(trifluoromethyl)pyridine
CID 71528362
4-(4-Methoxyphenyl)-2-(4-nitrophenyl)-6-(trifluoromethyl)pyrimidine
CID 154708169
2-Amino-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 62196954
N2-(4-Methoxy-benzyl)-6-trifluoromethyl-pyridine-2,3-diamine
CID 11630767
6-[2,3-Difluoro-4-(trifluoromethyl)phenoxy]-3-nitropyridin-2-amine
CID 17803165
6-[2,5-Difluoro-4-(trifluoromethyl)phenoxy]-3-nitropyridin-2-amine
CID 17803184
3-Nitro-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]pyridin-2-amine
CID 17803189
6-[3,5-Difluoro-4-(trifluoromethyl)phenoxy]-3-nitropyridin-2-amine
CID 17803192

Frequently Asked Questions

What is the IUPAC name of 3-nitro-6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
The IUPAC name of 3-nitro-6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine (CID 135353115) is 3-nitro-6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine.
What is the SMILES notation for 3-nitro-6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
The canonical SMILES for 3-nitro-6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine is Nc1nc(-c2ccc(OC(F)(F)F)cc2)ccc1[N+](=O)[O-].
What is the InChIKey of 3-nitro-6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
The InChIKey is GFVFUTUTJXUUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O3/c13-12(14,15)21-8-3-1-7(2-4-8)9-5-6-10(18(19)20)11(16)17-9/h1-6H,(H2,16,17).
What are the key properties of 3-nitro-6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine?
3-nitro-6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine has a molecular weight of 299.21 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine is sourced from PubChem (CID 135353115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).