6-(2,2-difluoroethoxy)-5-methyl-3-nitropyridin-2-amine

C8H9F2N3O3 — CID 59429835

IUPAC6-(2,2-difluoroethoxy)-5-methyl-3-nitropyridin-2-amine
SMILESCc1cc([N+](=O)[O-])c(N)nc1OCC(F)F
InChIInChI=1S/C8H9F2N3O3/c1-4-2-5(13(14)15)7(11)12-8(4)16-3-6(9)10/h2,6H,3H2,1H3,(H2,11,12)
InChIKeyPBEOHXKEHYHIBK-UHFFFAOYSA-N
MW233.17 g/mol
LogP1.52
Rot. Bonds4

About 6-(2,2-difluoroethoxy)-5-methyl-3-nitropyridin-2-amine

6-(2,2-difluoroethoxy)-5-methyl-3-nitropyridin-2-amine (PubChem CID 59429835) has the molecular formula C8H9F2N3O3 and a molecular weight of 233.17 g/mol. Its IUPAC name is 6-(2,2-difluoroethoxy)-5-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(2,2-difluoroethoxy)-5-methyl-3-nitropyridin-2-amine
PubChem CID59429835
Molecular FormulaC8H9F2N3O3
Molecular Weight233.17 g/mol
Exact Mass233.06
IUPAC Name6-(2,2-difluoroethoxy)-5-methyl-3-nitropyridin-2-amine
SMILESCc1cc([N+](=O)[O-])c(N)nc1OCC(F)F
InChIInChI=1S/C8H9F2N3O3/c1-4-2-5(13(14)15)7(11)12-8(4)16-3-6(9)10/h2,6H,3H2,1H3,(H2,11,12)
InChIKeyPBEOHXKEHYHIBK-UHFFFAOYSA-N
XLogP1.52
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.17
LogP ≤ 51.52
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

2-Amino-6-methoxy-3-nitropyridine
CID 3852428
6-ethoxy-3-nitro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridin-2-amine
CID 171353980
2-N-[2-(dimethylamino)ethyl]-2-N-methyl-3-nitro-6-(2,2,2-trifluoroethoxy)pyridine-2,5-diamine
CID 118861409
6-Methoxy-2-nitropyridin-3-amine
CID 13077420
6-Ethoxy-4-(trifluoromethyl)pyridin-2-amine
CID 14933766
6-[2,3-Difluoro-4-(trifluoromethyl)phenoxy]-3-nitropyridin-2-amine
CID 17803165
6-[2,5-Difluoro-4-(trifluoromethyl)phenoxy]-3-nitropyridin-2-amine
CID 17803184
3-Nitro-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]pyridin-2-amine
CID 17803189
6-[3,5-Difluoro-4-(trifluoromethyl)phenoxy]-3-nitropyridin-2-amine
CID 17803192
6-(2,2,2-Trifluoroethoxy)-5-(trifluoromethyl)pyridine-2,3-diamine
CID 19755434
N-[(4-fluorophenyl)methyl]-6-methoxy-3-nitropyridin-2-amine
CID 20037981
N-[3-nitro-6-(2,2,2-trifluoroethoxy)pyridin-2-yl]pentanamide
CID 21663107

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethoxy)-5-methyl-3-nitropyridin-2-amine?
The IUPAC name of 6-(2,2-difluoroethoxy)-5-methyl-3-nitropyridin-2-amine (CID 59429835) is 6-(2,2-difluoroethoxy)-5-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for 6-(2,2-difluoroethoxy)-5-methyl-3-nitropyridin-2-amine?
The canonical SMILES for 6-(2,2-difluoroethoxy)-5-methyl-3-nitropyridin-2-amine is Cc1cc([N+](=O)[O-])c(N)nc1OCC(F)F.
What is the InChIKey of 6-(2,2-difluoroethoxy)-5-methyl-3-nitropyridin-2-amine?
The InChIKey is PBEOHXKEHYHIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O3/c1-4-2-5(13(14)15)7(11)12-8(4)16-3-6(9)10/h2,6H,3H2,1H3,(H2,11,12).
What are the key properties of 6-(2,2-difluoroethoxy)-5-methyl-3-nitropyridin-2-amine?
6-(2,2-difluoroethoxy)-5-methyl-3-nitropyridin-2-amine has a molecular weight of 233.17 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethoxy)-5-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 59429835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).