6-chloro-N-[(3-fluorophenyl)methyl]-4-nitropyridin-2-amine

C12H9ClFN3O2 — CID 103888376

IUPAC6-chloro-N-[(3-fluorophenyl)methyl]-4-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cc(Cl)nc(NCc2cccc(F)c2)c1
InChIInChI=1S/C12H9ClFN3O2/c13-11-5-10(17(18)19)6-12(16-11)15-7-8-2-1-3-9(14)4-8/h1-6H,7H2,(H,15,16)
InChIKeyPRUKGFNNKNKIJA-UHFFFAOYSA-N
MW281.67 g/mol
LogP3.39
Rot. Bonds4

About 6-chloro-N-[(3-fluorophenyl)methyl]-4-nitropyridin-2-amine

6-chloro-N-[(3-fluorophenyl)methyl]-4-nitropyridin-2-amine (PubChem CID 103888376) has the molecular formula C12H9ClFN3O2 and a molecular weight of 281.67 g/mol. Its IUPAC name is 6-chloro-N-[(3-fluorophenyl)methyl]-4-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(3-fluorophenyl)methyl]-4-nitropyridin-2-amine
PubChem CID103888376
Molecular FormulaC12H9ClFN3O2
Molecular Weight281.67 g/mol
Exact Mass281.04
IUPAC Name6-chloro-N-[(3-fluorophenyl)methyl]-4-nitropyridin-2-amine
SMILESO=[N+]([O-])c1cc(Cl)nc(NCc2cccc(F)c2)c1
InChIInChI=1S/C12H9ClFN3O2/c13-11-5-10(17(18)19)6-12(16-11)15-7-8-2-1-3-9(14)4-8/h1-6H,7H2,(H,15,16)
InChIKeyPRUKGFNNKNKIJA-UHFFFAOYSA-N
XLogP3.39
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-6-chloro-4-nitropyridin-2-amine;2,6-dichloro-4-nitropyridine
CID 161281792
6-chloro-N-[(3-nitrophenyl)methyl]pyrazin-2-amine
CID 47453552
6-chloro-N-[(2-methylphenyl)methyl]-4-nitropyridin-2-amine
CID 103886427
2-chloro-4-fluoro-N-[(3-nitrophenyl)methyl]aniline
CID 28878908
3-N-[(3-fluorophenyl)methyl]-1-N-methyl-5-nitrobenzene-1,3-diamine
CID 80773224
N-[(3-fluorophenyl)methyl]-2,4-dinitroaniline
CID 5031170
2-[(6-chloro-4-nitro-2-pyridinyl)amino]ethanol
CID 103888263
6-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-nitropyridin-2-amine
CID 103911595
N-[(3-fluorophenyl)methyl]-6-nitro-1,3-benzoxazol-2-amine
CID 79881115
6-N-[(3-nitrophenyl)methyl]pyridine-2,6-diamine
CID 80648081
N-[(3-fluorophenyl)methyl]-2-methyl-6-nitroaniline
CID 78918499
5-fluoro-2-nitro-N-[(3-nitrophenyl)methyl]aniline
CID 62504025

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-fluorophenyl)methyl]-4-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-[(3-fluorophenyl)methyl]-4-nitropyridin-2-amine (CID 103888376) is 6-chloro-N-[(3-fluorophenyl)methyl]-4-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[(3-fluorophenyl)methyl]-4-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-[(3-fluorophenyl)methyl]-4-nitropyridin-2-amine is O=[N+]([O-])c1cc(Cl)nc(NCc2cccc(F)c2)c1.
What is the InChIKey of 6-chloro-N-[(3-fluorophenyl)methyl]-4-nitropyridin-2-amine?
The InChIKey is PRUKGFNNKNKIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O2/c13-11-5-10(17(18)19)6-12(16-11)15-7-8-2-1-3-9(14)4-8/h1-6H,7H2,(H,15,16).
What are the key properties of 6-chloro-N-[(3-fluorophenyl)methyl]-4-nitropyridin-2-amine?
6-chloro-N-[(3-fluorophenyl)methyl]-4-nitropyridin-2-amine has a molecular weight of 281.67 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-fluorophenyl)methyl]-4-nitropyridin-2-amine is sourced from PubChem (CID 103888376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).