2-fluoro-N-[(4-nitrophenyl)methyl]pyridin-4-amine

C12H10FN3O2 — CID 106192668

IUPAC2-fluoro-N-[(4-nitrophenyl)methyl]pyridin-4-amine
SMILESO=[N+]([O-])c1ccc(CNc2ccnc(F)c2)cc1
InChIInChI=1S/C12H10FN3O2/c13-12-7-10(5-6-14-12)15-8-9-1-3-11(4-2-9)16(17)18/h1-7H,8H2,(H,14,15)
InChIKeyLODHPBHYMMISBA-UHFFFAOYSA-N
MW247.23 g/mol
LogP2.74
Rot. Bonds4

About 2-fluoro-N-[(4-nitrophenyl)methyl]pyridin-4-amine

2-fluoro-N-[(4-nitrophenyl)methyl]pyridin-4-amine (PubChem CID 106192668) has the molecular formula C12H10FN3O2 and a molecular weight of 247.23 g/mol. Its IUPAC name is 2-fluoro-N-[(4-nitrophenyl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-fluoro-N-[(4-nitrophenyl)methyl]pyridin-4-amine
PubChem CID106192668
Molecular FormulaC12H10FN3O2
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC Name2-fluoro-N-[(4-nitrophenyl)methyl]pyridin-4-amine
SMILESO=[N+]([O-])c1ccc(CNc2ccnc(F)c2)cc1
InChIInChI=1S/C12H10FN3O2/c13-12-7-10(5-6-14-12)15-8-9-1-3-11(4-2-9)16(17)18/h1-7H,8H2,(H,14,15)
InChIKeyLODHPBHYMMISBA-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': '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-[(4-ethylphenyl)methyl]-2-fluoropyridin-4-amine
CID 106900550
4-[[(2-fluoro-4-pyridinyl)amino]methyl]phenol
CID 106196676
3-nitro-N-[(4-nitrophenyl)methyl]aniline
CID 9274128
4-nitro-N-(pyridin-4-ylmethyl)aniline
CID 3927656
N-[(3,4-difluorophenyl)methyl]-4-nitroaniline
CID 43425353
2-fluoro-5-[(4-nitrophenyl)methylamino]benzoic acid
CID 43727806
3,5-dichloro-N-[(4-nitrophenyl)methyl]aniline
CID 29271564
2,3,5,6-tetrafluoro-N-[(4-nitrophenyl)methyl]aniline
CID 107643575
3-methyl-4-nitro-N-[(4-nitrophenyl)methyl]aniline
CID 60876177
2-N-[(4-nitrophenyl)methyl]pyrimidine-2,4-diamine
CID 116795542
4-methyl-N-[(4-nitrophenyl)methyl]aniline
CID 1132994
N-[(4-nitrophenyl)methyl]-4-(trifluoromethyl)aniline
CID 22353776

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(4-nitrophenyl)methyl]pyridin-4-amine?
The IUPAC name of 2-fluoro-N-[(4-nitrophenyl)methyl]pyridin-4-amine (CID 106192668) is 2-fluoro-N-[(4-nitrophenyl)methyl]pyridin-4-amine.
What is the SMILES notation for 2-fluoro-N-[(4-nitrophenyl)methyl]pyridin-4-amine?
The canonical SMILES for 2-fluoro-N-[(4-nitrophenyl)methyl]pyridin-4-amine is O=[N+]([O-])c1ccc(CNc2ccnc(F)c2)cc1.
What is the InChIKey of 2-fluoro-N-[(4-nitrophenyl)methyl]pyridin-4-amine?
The InChIKey is LODHPBHYMMISBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2/c13-12-7-10(5-6-14-12)15-8-9-1-3-11(4-2-9)16(17)18/h1-7H,8H2,(H,14,15).
What are the key properties of 2-fluoro-N-[(4-nitrophenyl)methyl]pyridin-4-amine?
2-fluoro-N-[(4-nitrophenyl)methyl]pyridin-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 2-fluoro-N-[(4-nitrophenyl)methyl]pyridin-4-amine is sourced from PubChem (CID 106192668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).