N-[1-(4-fluorophenyl)propan-2-yl]-3-nitropyridin-4-amine

C14H14FN3O2 — CID 62994861

IUPACN-[1-(4-fluorophenyl)propan-2-yl]-3-nitropyridin-4-amine
SMILESCC(Cc1ccc(F)cc1)Nc1ccncc1[N+](=O)[O-]
InChIInChI=1S/C14H14FN3O2/c1-10(8-11-2-4-12(15)5-3-11)17-13-6-7-16-9-14(13)18(19)20/h2-7,9-10H,8H2,1H3,(H,16,17)
InChIKeyCAUVNNKZBFHIAE-UHFFFAOYSA-N
MW275.28 g/mol
LogP3.17
Rot. Bonds5

About N-[1-(4-fluorophenyl)propan-2-yl]-3-nitropyridin-4-amine

N-[1-(4-fluorophenyl)propan-2-yl]-3-nitropyridin-4-amine (PubChem CID 62994861) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propan-2-yl]-3-nitropyridin-4-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propan-2-yl]-3-nitropyridin-4-amine
PubChem CID62994861
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC NameN-[1-(4-fluorophenyl)propan-2-yl]-3-nitropyridin-4-amine
SMILESCC(Cc1ccc(F)cc1)Nc1ccncc1[N+](=O)[O-]
InChIInChI=1S/C14H14FN3O2/c1-10(8-11-2-4-12(15)5-3-11)17-13-6-7-16-9-14(13)18(19)20/h2-7,9-10H,8H2,1H3,(H,16,17)
InChIKeyCAUVNNKZBFHIAE-UHFFFAOYSA-N
XLogP3.17
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 53.17
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-[1-(4-fluorophenyl)propan-2-yl]-4-methyl-2-nitroaniline
CID 63541846
3-nitro-N-pentan-2-ylpyridin-4-amine
CID 43114081
4-[2-(4-fluoro-2-nitroanilino)propyl]phenol
CID 115494070
N-(3-ethylpentan-2-yl)-3-nitropyridin-4-amine
CID 63838871
N-(1-imidazol-1-ylpropan-2-yl)-3-nitropyridin-4-amine
CID 54958624
3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-4-nitroaniline
CID 114830588
2-[(3-nitro-4-pyridinyl)amino]-3-phenylpropan-1-ol
CID 63261023
4-methyl-3-[(3-nitro-4-pyridinyl)amino]pentan-1-ol
CID 103703895
2-[(3-nitro-4-pyridinyl)amino]butan-1-ol
CID 43500161
methyl 3-hydroxy-2-[(3-nitro-4-pyridinyl)amino]propanoate
CID 62005492
N,N-dimethyl-2-[(3-nitro-4-pyridinyl)amino]propanamide
CID 54950233
3-nitro-N-(1-piperidin-3-ylethyl)pyridin-4-amine
CID 62045707

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-3-nitropyridin-4-amine?
The IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-3-nitropyridin-4-amine (CID 62994861) is N-[1-(4-fluorophenyl)propan-2-yl]-3-nitropyridin-4-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)propan-2-yl]-3-nitropyridin-4-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)propan-2-yl]-3-nitropyridin-4-amine is CC(Cc1ccc(F)cc1)Nc1ccncc1[N+](=O)[O-].
What is the InChIKey of N-[1-(4-fluorophenyl)propan-2-yl]-3-nitropyridin-4-amine?
The InChIKey is CAUVNNKZBFHIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-10(8-11-2-4-12(15)5-3-11)17-13-6-7-16-9-14(13)18(19)20/h2-7,9-10H,8H2,1H3,(H,16,17).
What are the key properties of N-[1-(4-fluorophenyl)propan-2-yl]-3-nitropyridin-4-amine?
N-[1-(4-fluorophenyl)propan-2-yl]-3-nitropyridin-4-amine has a molecular weight of 275.28 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propan-2-yl]-3-nitropyridin-4-amine is sourced from PubChem (CID 62994861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).