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

C12H10FN3O2 — CID 10332195

IUPACN-[(2-fluorophenyl)methyl]-3-nitropyridin-4-amine
SMILESO=[N+]([O-])c1cnccc1NCc1ccccc1F
InChIInChI=1S/C12H10FN3O2/c13-10-4-2-1-3-9(10)7-15-11-5-6-14-8-12(11)16(17)18/h1-6,8H,7H2,(H,14,15)
InChIKeyARIKIVYNWXFQEJ-UHFFFAOYSA-N
MW247.23 g/mol
LogP2.74
Rot. Bonds4

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

N-[(2-fluorophenyl)methyl]-3-nitropyridin-4-amine (PubChem CID 10332195) has the molecular formula C12H10FN3O2 and a molecular weight of 247.23 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-nitropyridin-4-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-nitropyridin-4-amine
PubChem CID10332195
Molecular FormulaC12H10FN3O2
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC NameN-[(2-fluorophenyl)methyl]-3-nitropyridin-4-amine
SMILESO=[N+]([O-])c1cnccc1NCc1ccccc1F
InChIInChI=1S/C12H10FN3O2/c13-10-4-2-1-3-9(10)7-15-11-5-6-14-8-12(11)16(17)18/h1-6,8H,7H2,(H,14,15)
InChIKeyARIKIVYNWXFQEJ-UHFFFAOYSA-N
XLogP2.74
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 52.74
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-[(2,5-difluorophenyl)methyl]-3-nitropyridin-4-amine
CID 10084201
N-[(2-fluorophenyl)methyl]-8-nitroisoquinolin-5-amine
CID 26452304
N-[(2-methyl-3-nitrophenyl)methyl]-3-nitropyridin-4-amine
CID 103112027
4-fluoro-N-[(2-fluorophenyl)methyl]-2-nitroaniline
CID 43218044
4-[(2-fluorophenyl)methylamino]-3-nitrobenzaldehyde
CID 9112520
4-methyl-N-[(2-nitrophenyl)methyl]pyridin-3-amine
CID 63329672
N-(2-naphthalen-1-ylethyl)-3-nitropyridin-4-amine
CID 125493578
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
3-chloro-N-[(2-fluorophenyl)methyl]-2-nitroaniline
CID 104835684
N-[(3-bromophenyl)methyl]-3-nitropyridin-4-amine
CID 61401634
2-N-[(2-fluorophenyl)methyl]-5-nitropyrimidine-2,4-diamine
CID 47158286

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-nitropyridin-4-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-nitropyridin-4-amine (CID 10332195) is N-[(2-fluorophenyl)methyl]-3-nitropyridin-4-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-nitropyridin-4-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-nitropyridin-4-amine is O=[N+]([O-])c1cnccc1NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-nitropyridin-4-amine?
The InChIKey is ARIKIVYNWXFQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2/c13-10-4-2-1-3-9(10)7-15-11-5-6-14-8-12(11)16(17)18/h1-6,8H,7H2,(H,14,15).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-nitropyridin-4-amine?
N-[(2-fluorophenyl)methyl]-3-nitropyridin-4-amine has a molecular weight of 247.23 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-nitropyridin-4-amine is sourced from PubChem (CID 10332195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).