N-[(3,4-difluorophenyl)methyl]-6-nitropyridin-3-amine

C12H9F2N3O2 — CID 55070897

IUPACN-[(3,4-difluorophenyl)methyl]-6-nitropyridin-3-amine
SMILESO=[N+]([O-])c1ccc(NCc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C12H9F2N3O2/c13-10-3-1-8(5-11(10)14)6-15-9-2-4-12(16-7-9)17(18)19/h1-5,7,15H,6H2
InChIKeyHAKOYARUMNSWAS-UHFFFAOYSA-N
MW265.22 g/mol
LogP2.88
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-6-nitropyridin-3-amine

N-[(3,4-difluorophenyl)methyl]-6-nitropyridin-3-amine (PubChem CID 55070897) has the molecular formula C12H9F2N3O2 and a molecular weight of 265.22 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-6-nitropyridin-3-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-6-nitropyridin-3-amine
PubChem CID55070897
Molecular FormulaC12H9F2N3O2
Molecular Weight265.22 g/mol
Exact Mass265.07
IUPAC NameN-[(3,4-difluorophenyl)methyl]-6-nitropyridin-3-amine
SMILESO=[N+]([O-])c1ccc(NCc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C12H9F2N3O2/c13-10-3-1-8(5-11(10)14)6-15-9-2-4-12(16-7-9)17(18)19/h1-5,7,15H,6H2
InChIKeyHAKOYARUMNSWAS-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-[(3,4-difluorophenyl)methyl]-4-nitroaniline
CID 43425353
N-benzyl-6-nitropyridin-3-amine
CID 55024435
3-[[(6-nitro-3-pyridinyl)amino]methyl]benzoic acid
CID 60894072
5-N-[(3,4-difluorophenyl)methyl]pyridine-2,5-diamine
CID 54965666
1-N-[(3,4-difluorophenyl)methyl]-4-nitrobenzene-1,3-diamine
CID 106749175
N-[(3,4-difluorophenyl)methyl]-4-methyl-3-nitroaniline
CID 43425317
3-bromo-N-[(3,4-difluorophenyl)methyl]-4-nitroaniline
CID 82861601
6-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-3-amine
CID 106418902
5-[(3,4-difluorophenyl)methylamino]pyridine-2-carboxylic acid
CID 115490715
N-[(3,4-difluorophenyl)methyl]-3-nitroaniline
CID 43425288
N-[(3-ethoxyphenyl)methyl]-6-nitropyridin-3-amine
CID 60964362
5-[(3,4-difluorophenyl)methylamino]-2-nitrobenzonitrile
CID 115500262

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-6-nitropyridin-3-amine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-6-nitropyridin-3-amine (CID 55070897) is N-[(3,4-difluorophenyl)methyl]-6-nitropyridin-3-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-6-nitropyridin-3-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-6-nitropyridin-3-amine is O=[N+]([O-])c1ccc(NCc2ccc(F)c(F)c2)cn1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-6-nitropyridin-3-amine?
The InChIKey is HAKOYARUMNSWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O2/c13-10-3-1-8(5-11(10)14)6-15-9-2-4-12(16-7-9)17(18)19/h1-5,7,15H,6H2.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-6-nitropyridin-3-amine?
N-[(3,4-difluorophenyl)methyl]-6-nitropyridin-3-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-[(3,4-difluorophenyl)methyl]-6-nitropyridin-3-amine is sourced from PubChem (CID 55070897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).