3,5-dichloro-6-(5-fluoro-2-nitrophenoxy)-N-methylpyridin-2-amine

C12H8Cl2FN3O3 — CID 102760813

IUPAC3,5-dichloro-6-(5-fluoro-2-nitrophenoxy)-N-methylpyridin-2-amine
SMILESCNc1nc(Oc2cc(F)ccc2[N+](=O)[O-])c(Cl)cc1Cl
InChIInChI=1S/C12H8Cl2FN3O3/c1-16-11-7(13)5-8(14)12(17-11)21-10-4-6(15)2-3-9(10)18(19)20/h2-5H,1H3,(H,16,17)
InChIKeyIOAKDNRFLJGNOX-UHFFFAOYSA-N
MW332.12 g/mol
LogP4.27
Rot. Bonds4

About 3,5-dichloro-6-(5-fluoro-2-nitrophenoxy)-N-methylpyridin-2-amine

3,5-dichloro-6-(5-fluoro-2-nitrophenoxy)-N-methylpyridin-2-amine (PubChem CID 102760813) has the molecular formula C12H8Cl2FN3O3 and a molecular weight of 332.12 g/mol. Its IUPAC name is 3,5-dichloro-6-(5-fluoro-2-nitrophenoxy)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-(5-fluoro-2-nitrophenoxy)-N-methylpyridin-2-amine
PubChem CID102760813
Molecular FormulaC12H8Cl2FN3O3
Molecular Weight332.12 g/mol
Exact Mass330.99
IUPAC Name3,5-dichloro-6-(5-fluoro-2-nitrophenoxy)-N-methylpyridin-2-amine
SMILESCNc1nc(Oc2cc(F)ccc2[N+](=O)[O-])c(Cl)cc1Cl
InChIInChI=1S/C12H8Cl2FN3O3/c1-16-11-7(13)5-8(14)12(17-11)21-10-4-6(15)2-3-9(10)18(19)20/h2-5H,1H3,(H,16,17)
InChIKeyIOAKDNRFLJGNOX-UHFFFAOYSA-N
XLogP4.27
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.12
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

5-chloro-4-(5-fluoro-2-nitrophenoxy)-N-methylpyrimidin-2-amine
CID 80875623
3,5-dichloro-6-(2-fluoro-6-nitrophenoxy)-N-methylpyridin-2-amine
CID 102761161
5-bromo-2-chloro-4-(5-fluoro-2-nitrophenoxy)pyrimidine
CID 79075513
6-(5-fluoro-2-methylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 102989036
5-chloro-4-(5-fluoro-2-nitrophenoxy)-1H-pyrimidin-6-one
CID 114676307
3-chloro-6-(5-fluoro-2-nitrophenoxy)pyridazine
CID 60674957
3,5-dichloro-N-methyl-6-(2,4,5-trichlorophenoxy)pyridin-2-amine
CID 102760562
2,3,5-trichloro-6-(5-methyl-2-nitrophenoxy)pyridine
CID 102749610
4-fluoro-2-[(2-methylpropan-2-yl)oxy]-1-nitrobenzene
CID 71757600
[2-chloro-6-(5-fluoro-2-nitrophenoxy)phenyl]methanol
CID 61031552
2-(5-fluoro-2-nitrophenoxy)pyridin-3-amine
CID 114051796
2-N-(2-chloro-5-fluorophenyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 107531868

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-(5-fluoro-2-nitrophenoxy)-N-methylpyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-(5-fluoro-2-nitrophenoxy)-N-methylpyridin-2-amine (CID 102760813) is 3,5-dichloro-6-(5-fluoro-2-nitrophenoxy)-N-methylpyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-(5-fluoro-2-nitrophenoxy)-N-methylpyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-(5-fluoro-2-nitrophenoxy)-N-methylpyridin-2-amine is CNc1nc(Oc2cc(F)ccc2[N+](=O)[O-])c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-(5-fluoro-2-nitrophenoxy)-N-methylpyridin-2-amine?
The InChIKey is IOAKDNRFLJGNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FN3O3/c1-16-11-7(13)5-8(14)12(17-11)21-10-4-6(15)2-3-9(10)18(19)20/h2-5H,1H3,(H,16,17).
What are the key properties of 3,5-dichloro-6-(5-fluoro-2-nitrophenoxy)-N-methylpyridin-2-amine?
3,5-dichloro-6-(5-fluoro-2-nitrophenoxy)-N-methylpyridin-2-amine has a molecular weight of 332.12 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-(5-fluoro-2-nitrophenoxy)-N-methylpyridin-2-amine is sourced from PubChem (CID 102760813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).