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

C12H7F4N3O2 — CID 68572505

IUPACN-[4-fluoro-2-(trifluoromethyl)phenyl]-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1Nc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C12H7F4N3O2/c13-7-3-4-9(8(6-7)12(14,15)16)18-11-10(19(20)21)2-1-5-17-11/h1-6H,(H,17,18)
InChIKeyUGCQBBSDEKEQRI-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.89
Rot. Bonds3

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

N-[4-fluoro-2-(trifluoromethyl)phenyl]-3-nitropyridin-2-amine (PubChem CID 68572505) has the molecular formula C12H7F4N3O2 and a molecular weight of 301.20 g/mol. Its IUPAC name is N-[4-fluoro-2-(trifluoromethyl)phenyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[4-fluoro-2-(trifluoromethyl)phenyl]-3-nitropyridin-2-amine
PubChem CID68572505
Molecular FormulaC12H7F4N3O2
Molecular Weight301.20 g/mol
Exact Mass301.05
IUPAC NameN-[4-fluoro-2-(trifluoromethyl)phenyl]-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1Nc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C12H7F4N3O2/c13-7-3-4-9(8(6-7)12(14,15)16)18-11-10(19(20)21)2-1-5-17-11/h1-6H,(H,17,18)
InChIKeyUGCQBBSDEKEQRI-UHFFFAOYSA-N
XLogP3.89
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-bromo-4-iodophenyl)-3-nitropyridin-2-amine
CID 70103878
N-naphthalen-1-yl-3-nitropyridin-2-amine
CID 3725963
3-nitro-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 178120441
3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine
CID 106293565
2-[3-nitro-2-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 154389587
N-(3,5-difluoro-4-methoxyphenyl)-3-nitropyridin-2-amine
CID 47059552
N-(4,5-dimethoxy-2-methylphenyl)-3-nitropyridin-2-amine
CID 40677036
N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61168630
(3-nitro-2-pyridinyl)hydrazine
CID 3578935
N-methyl-3-nitropyridin-2-amine
CID 556349
3-nitro-N-(2,4,6-trimethylphenyl)pyridin-2-amine
CID 23279474
1-(4-fluorophenyl)-1-[(3-nitro-2-pyridinyl)amino]urea
CID 22305425

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(trifluoromethyl)phenyl]-3-nitropyridin-2-amine?
The IUPAC name of N-[4-fluoro-2-(trifluoromethyl)phenyl]-3-nitropyridin-2-amine (CID 68572505) is N-[4-fluoro-2-(trifluoromethyl)phenyl]-3-nitropyridin-2-amine.
What is the SMILES notation for N-[4-fluoro-2-(trifluoromethyl)phenyl]-3-nitropyridin-2-amine?
The canonical SMILES for N-[4-fluoro-2-(trifluoromethyl)phenyl]-3-nitropyridin-2-amine is O=[N+]([O-])c1cccnc1Nc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of N-[4-fluoro-2-(trifluoromethyl)phenyl]-3-nitropyridin-2-amine?
The InChIKey is UGCQBBSDEKEQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4N3O2/c13-7-3-4-9(8(6-7)12(14,15)16)18-11-10(19(20)21)2-1-5-17-11/h1-6H,(H,17,18).
What are the key properties of N-[4-fluoro-2-(trifluoromethyl)phenyl]-3-nitropyridin-2-amine?
N-[4-fluoro-2-(trifluoromethyl)phenyl]-3-nitropyridin-2-amine has a molecular weight of 301.20 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(trifluoromethyl)phenyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 68572505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).