N-[(2,5-difluorophenyl)methyl]-3-nitropyridin-4-amine

C12H9F2N3O2 — CID 10084201

IUPACN-[(2,5-difluorophenyl)methyl]-3-nitropyridin-4-amine
SMILESO=[N+]([O-])c1cnccc1NCc1cc(F)ccc1F
InChIInChI=1S/C12H9F2N3O2/c13-9-1-2-10(14)8(5-9)6-16-11-3-4-15-7-12(11)17(18)19/h1-5,7H,6H2,(H,15,16)
InChIKeyQKGLPYAAPIWCKO-UHFFFAOYSA-N
MW265.22 g/mol
LogP2.88
Rot. Bonds4

About N-[(2,5-difluorophenyl)methyl]-3-nitropyridin-4-amine

N-[(2,5-difluorophenyl)methyl]-3-nitropyridin-4-amine (PubChem CID 10084201) has the molecular formula C12H9F2N3O2 and a molecular weight of 265.22 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-3-nitropyridin-4-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-3-nitropyridin-4-amine
PubChem CID10084201
Molecular FormulaC12H9F2N3O2
Molecular Weight265.22 g/mol
Exact Mass265.07
IUPAC NameN-[(2,5-difluorophenyl)methyl]-3-nitropyridin-4-amine
SMILESO=[N+]([O-])c1cnccc1NCc1cc(F)ccc1F
InChIInChI=1S/C12H9F2N3O2/c13-9-1-2-10(14)8(5-9)6-16-11-3-4-15-7-12(11)17(18)19/h1-5,7H,6H2,(H,15,16)
InChIKeyQKGLPYAAPIWCKO-UHFFFAOYSA-N
XLogP2.88
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 52.88
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-fluorophenyl)methyl]-3-nitropyridin-4-amine
CID 10332195
N-[(2,5-difluorophenyl)methyl]-5-fluoro-4-iodo-2-nitroaniline
CID 66101826
N-[(2,5-difluorophenyl)methyl]-5-methyl-4-nitropyridin-2-amine
CID 83267602
4-fluoro-N-[(2-fluorophenyl)methyl]-2-nitroaniline
CID 43218044
N-[(2-methyl-3-nitrophenyl)methyl]-3-nitropyridin-4-amine
CID 103112027
N-[(2,5-difluorophenyl)methyl]-1-(5-fluoro-2-nitrophenyl)methanamine
CID 63796050
N-[(2,5-difluorophenyl)methyl]-1-methyl-4-nitropyrazol-3-amine
CID 103079923
2,5-difluoro-N-[(2-nitrophenyl)methyl]aniline
CID 28574528
3-nitro-N-(1,3-thiazol-5-ylmethyl)pyridin-4-amine
CID 104577455
3-nitro-N-(1,3-thiazol-2-ylmethyl)pyridin-4-amine
CID 61285246
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-8-nitroisoquinolin-5-amine
CID 60506016
2-chloro-N-[(2,5-difluorophenyl)methyl]-6-nitroaniline
CID 63795168

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-3-nitropyridin-4-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-3-nitropyridin-4-amine (CID 10084201) is N-[(2,5-difluorophenyl)methyl]-3-nitropyridin-4-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-3-nitropyridin-4-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-3-nitropyridin-4-amine is O=[N+]([O-])c1cnccc1NCc1cc(F)ccc1F.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-3-nitropyridin-4-amine?
The InChIKey is QKGLPYAAPIWCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O2/c13-9-1-2-10(14)8(5-9)6-16-11-3-4-15-7-12(11)17(18)19/h1-5,7H,6H2,(H,15,16).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-3-nitropyridin-4-amine?
N-[(2,5-difluorophenyl)methyl]-3-nitropyridin-4-amine has a molecular weight of 265.22 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-3-nitropyridin-4-amine is sourced from PubChem (CID 10084201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).