4-(difluoromethyl)-5-(3-iminoprop-1-en-2-yloxy)-N-methyl-2-nitropyridin-3-amine

C10H10F2N4O3 — CID 164560031

IUPAC4-(difluoromethyl)-5-(3-iminoprop-1-en-2-yloxy)-N-methyl-2-nitropyridin-3-amine
SMILES[H]/N=C/C(=C)Oc1cnc([N+](=O)[O-])c(NC)c1C(F)F
InChIInChI=1S/C10H10F2N4O3/c1-5(3-13)19-6-4-15-10(16(17)18)8(14-2)7(6)9(11)12/h3-4,9,13-14H,1H2,2H3/b13-3+
InChIKeyNGRQWYNYKMJRKI-QLKAYGNNSA-N
MW272.21 g/mol
LogP2.51
Rot. Bonds6

About 4-(difluoromethyl)-5-(3-iminoprop-1-en-2-yloxy)-N-methyl-2-nitropyridin-3-amine

4-(difluoromethyl)-5-(3-iminoprop-1-en-2-yloxy)-N-methyl-2-nitropyridin-3-amine (PubChem CID 164560031) has the molecular formula C10H10F2N4O3 and a molecular weight of 272.21 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-(3-iminoprop-1-en-2-yloxy)-N-methyl-2-nitropyridin-3-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-5-(3-iminoprop-1-en-2-yloxy)-N-methyl-2-nitropyridin-3-amine
PubChem CID164560031
Molecular FormulaC10H10F2N4O3
Molecular Weight272.21 g/mol
Exact Mass272.07
IUPAC Name4-(difluoromethyl)-5-(3-iminoprop-1-en-2-yloxy)-N-methyl-2-nitropyridin-3-amine
SMILES[H]/N=C/C(=C)Oc1cnc([N+](=O)[O-])c(NC)c1C(F)F
InChIInChI=1S/C10H10F2N4O3/c1-5(3-13)19-6-4-15-10(16(17)18)8(14-2)7(6)9(11)12/h3-4,9,13-14H,1H2,2H3/b13-3+
InChIKeyNGRQWYNYKMJRKI-QLKAYGNNSA-N
XLogP2.51
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-(3-iminoprop-1-en-2-yloxy)-N-methyl-2-nitropyridin-3-amine?
The IUPAC name of 4-(difluoromethyl)-5-(3-iminoprop-1-en-2-yloxy)-N-methyl-2-nitropyridin-3-amine (CID 164560031) is 4-(difluoromethyl)-5-(3-iminoprop-1-en-2-yloxy)-N-methyl-2-nitropyridin-3-amine.
What is the SMILES notation for 4-(difluoromethyl)-5-(3-iminoprop-1-en-2-yloxy)-N-methyl-2-nitropyridin-3-amine?
The canonical SMILES for 4-(difluoromethyl)-5-(3-iminoprop-1-en-2-yloxy)-N-methyl-2-nitropyridin-3-amine is [H]/N=C/C(=C)Oc1cnc([N+](=O)[O-])c(NC)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-(3-iminoprop-1-en-2-yloxy)-N-methyl-2-nitropyridin-3-amine?
The InChIKey is NGRQWYNYKMJRKI-QLKAYGNNSA-N. The full InChI is InChI=1S/C10H10F2N4O3/c1-5(3-13)19-6-4-15-10(16(17)18)8(14-2)7(6)9(11)12/h3-4,9,13-14H,1H2,2H3/b13-3+.
What are the key properties of 4-(difluoromethyl)-5-(3-iminoprop-1-en-2-yloxy)-N-methyl-2-nitropyridin-3-amine?
4-(difluoromethyl)-5-(3-iminoprop-1-en-2-yloxy)-N-methyl-2-nitropyridin-3-amine has a molecular weight of 272.21 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-(3-iminoprop-1-en-2-yloxy)-N-methyl-2-nitropyridin-3-amine is sourced from PubChem (CID 164560031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).