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

C13H11ClFN3O2 — CID 43330324

IUPAC6-chloro-N-[2-(4-fluorophenyl)ethyl]-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(Cl)nc1NCCc1ccc(F)cc1
InChIInChI=1S/C13H11ClFN3O2/c14-12-6-5-11(18(19)20)13(17-12)16-8-7-9-1-3-10(15)4-2-9/h1-6H,7-8H2,(H,16,17)
InChIKeyGKLYHWWZKCRRDZ-UHFFFAOYSA-N
MW295.70 g/mol
LogP3.44
Rot. Bonds5

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

6-chloro-N-[2-(4-fluorophenyl)ethyl]-3-nitropyridin-2-amine (PubChem CID 43330324) has the molecular formula C13H11ClFN3O2 and a molecular weight of 295.70 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-fluorophenyl)ethyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(4-fluorophenyl)ethyl]-3-nitropyridin-2-amine
PubChem CID43330324
Molecular FormulaC13H11ClFN3O2
Molecular Weight295.70 g/mol
Exact Mass295.05
IUPAC Name6-chloro-N-[2-(4-fluorophenyl)ethyl]-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(Cl)nc1NCCc1ccc(F)cc1
InChIInChI=1S/C13H11ClFN3O2/c14-12-6-5-11(18(19)20)13(17-12)16-8-7-9-1-3-10(15)4-2-9/h1-6H,7-8H2,(H,16,17)
InChIKeyGKLYHWWZKCRRDZ-UHFFFAOYSA-N
XLogP3.44
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 53.44
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

2-Benzylamino-5-nitropyridine
CID 261542
N4-(3-chlorophenyl)-N2-methyl-5-nitropyrimidine-2,4,6-triamine
CID 3392161
N-(3-chloro-4-methylphenyl)-5-nitropyridin-2-amine
CID 3146292
4-N-(3-chlorophenyl)-5-nitro-2-N-prop-2-enylpyrimidine-2,4,6-triamine
CID 3773800
3-nitro-N-(2-phenylethyl)-2-Pyridinamine
CID 3739008
(R)-(+)-2-(alpha-Methylbenzylamino)-5-nitropyridine
CID 11368515
N~1~-(2-chloro-6-nitrophenyl)-N~2~-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-ethanediamine
CID 2765666
2-[2-(2-Fluoro-phenyl)-ethylamino]-4,6-dimethyl-5-nitro-nicotinonitrile
CID 3103362
5-Nitro-2-{[1-(3-methylphenyl)ethyl]amino}pyridine
CID 3504403
N~1~-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N~2~-(2-nitrophenyl)-1,2-ethanediamine
CID 3704436
N~1~-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N~2~-(3-nitro-2-pyridinyl)-1,2-ethanediamine
CID 3773884
N2-(3-chloro-4-methylphenyl)-N4-methyl-5-nitropyrimidine-2,4,6-triamine
CID 4089250

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(4-fluorophenyl)ethyl]-3-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-[2-(4-fluorophenyl)ethyl]-3-nitropyridin-2-amine (CID 43330324) is 6-chloro-N-[2-(4-fluorophenyl)ethyl]-3-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[2-(4-fluorophenyl)ethyl]-3-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-[2-(4-fluorophenyl)ethyl]-3-nitropyridin-2-amine is O=[N+]([O-])c1ccc(Cl)nc1NCCc1ccc(F)cc1.
What is the InChIKey of 6-chloro-N-[2-(4-fluorophenyl)ethyl]-3-nitropyridin-2-amine?
The InChIKey is GKLYHWWZKCRRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O2/c14-12-6-5-11(18(19)20)13(17-12)16-8-7-9-1-3-10(15)4-2-9/h1-6H,7-8H2,(H,16,17).
What are the key properties of 6-chloro-N-[2-(4-fluorophenyl)ethyl]-3-nitropyridin-2-amine?
6-chloro-N-[2-(4-fluorophenyl)ethyl]-3-nitropyridin-2-amine has a molecular weight of 295.70 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(4-fluorophenyl)ethyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 43330324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).