N-ethyl-6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine

C14H14FN3O2 — CID 115503043

IUPACN-ethyl-6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine
SMILESCCNc1ccc([N+](=O)[O-])c(-c2cccc(F)c2C)n1
InChIInChI=1S/C14H14FN3O2/c1-3-16-13-8-7-12(18(19)20)14(17-13)10-5-4-6-11(15)9(10)2/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyGMEPGKJSCMQSEX-UHFFFAOYSA-N
MW275.28 g/mol
LogP3.54
Rot. Bonds4

About N-ethyl-6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine

N-ethyl-6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine (PubChem CID 115503043) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is N-ethyl-6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine
PubChem CID115503043
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC NameN-ethyl-6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine
SMILESCCNc1ccc([N+](=O)[O-])c(-c2cccc(F)c2C)n1
InChIInChI=1S/C14H14FN3O2/c1-3-16-13-8-7-12(18(19)20)14(17-13)10-5-4-6-11(15)9(10)2/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyGMEPGKJSCMQSEX-UHFFFAOYSA-N
XLogP3.54
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 53.54
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

6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine
CID 115503029
6-(2,3-difluorophenoxy)-N-ethyl-5-nitropyridin-2-amine
CID 80880817
N-ethyl-6-(2-fluoro-3-methylphenoxy)-5-nitropyridin-2-amine
CID 107662749
N-ethyl-6-(2-fluoro-5-methylphenoxy)-5-nitropyridin-2-amine
CID 80870908
N-ethyl-5-nitroquinolin-2-amine
CID 59551851
6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine
CID 80765185
6-(2-methylthiophen-3-yl)-5-nitro-N-propylpyridin-2-amine
CID 102838567
N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-nitropyridin-2-amine
CID 107171732
6-N-ethyl-2-N-(4-fluoro-3-methylphenyl)-3-nitropyridine-2,6-diamine
CID 80805285
6-N-ethyl-2-N-[(3-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine
CID 80771439
2-N-ethyl-6-N-(3-fluoro-2-methylphenyl)pyridine-2,6-diamine
CID 80814736
N-ethyl-6-(2-methylphenoxy)-5-nitropyridin-2-amine
CID 80869251

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine?
The IUPAC name of N-ethyl-6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine (CID 115503043) is N-ethyl-6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine.
What is the SMILES notation for N-ethyl-6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine?
The canonical SMILES for N-ethyl-6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine is CCNc1ccc([N+](=O)[O-])c(-c2cccc(F)c2C)n1.
What is the InChIKey of N-ethyl-6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine?
The InChIKey is GMEPGKJSCMQSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-3-16-13-8-7-12(18(19)20)14(17-13)10-5-4-6-11(15)9(10)2/h4-8H,3H2,1-2H3,(H,16,17).
What are the key properties of N-ethyl-6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine?
N-ethyl-6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine has a molecular weight of 275.28 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine is sourced from PubChem (CID 115503043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).