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

C12H10FN3O2 — CID 115503029

IUPAC6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine
SMILESCc1c(F)cccc1-c1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H10FN3O2/c1-7-8(3-2-4-9(7)13)12-10(16(17)18)5-6-11(14)15-12/h2-6H,1H3,(H2,14,15)
InChIKeyFBGKVXQTOIDCRS-UHFFFAOYSA-N
MW247.23 g/mol
LogP2.69
Rot. Bonds2

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

6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine (PubChem CID 115503029) has the molecular formula C12H10FN3O2 and a molecular weight of 247.23 g/mol. Its IUPAC name is 6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine
PubChem CID115503029
Molecular FormulaC12H10FN3O2
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC Name6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine
SMILESCc1c(F)cccc1-c1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H10FN3O2/c1-7-8(3-2-4-9(7)13)12-10(16(17)18)5-6-11(14)15-12/h2-6H,1H3,(H2,14,15)
InChIKeyFBGKVXQTOIDCRS-UHFFFAOYSA-N
XLogP2.69
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 52.69
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-ethyl-6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine
CID 115503043
6-(2,3-difluorophenoxy)-5-nitropyridin-2-amine
CID 80880828
6-chloro-2-(2,6-difluorophenyl)-3-nitropyridine
CID 79079282
5-nitro-6-(2-propoxyphenyl)pyridin-2-amine
CID 104663163
5-nitro-6-pyridin-4-ylpyridin-2-amine
CID 13309018
3-fluoro-2-(2-fluoro-3-nitrophenyl)aniline
CID 175739955
6-methyl-3-nitropyridin-2-amine;6-methylpyridin-2-amine
CID 158471946
5-nitro-6-(2-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine
CID 112744660
2-fluoro-6-nitroaniline;hydrochloride
CID 169225840
6-chloro-5-nitropyridin-2-amine
CID 3069277
2-(2,3-difluorophenyl)-4-methyl-5-nitropyridine
CID 170837722
2-fluoro-6-(3-fluoro-2-methylphenyl)aniline
CID 107602875

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine?
The IUPAC name of 6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine (CID 115503029) is 6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine.
What is the SMILES notation for 6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine?
The canonical SMILES for 6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine is Cc1c(F)cccc1-c1nc(N)ccc1[N+](=O)[O-].
What is the InChIKey of 6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine?
The InChIKey is FBGKVXQTOIDCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2/c1-7-8(3-2-4-9(7)13)12-10(16(17)18)5-6-11(14)15-12/h2-6H,1H3,(H2,14,15).
What are the key properties of 6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine?
6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine has a molecular weight of 247.23 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine is sourced from PubChem (CID 115503029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).