4-(difluoromethyl)-6-methyl-5-nitropyridin-3-amine

C7H7F2N3O2 — CID 130106268

IUPAC4-(difluoromethyl)-6-methyl-5-nitropyridin-3-amine
SMILESCc1ncc(N)c(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C7H7F2N3O2/c1-3-6(12(13)14)5(7(8)9)4(10)2-11-3/h2,7H,10H2,1H3
InChIKeyDPTNZVMFJJNXEJ-UHFFFAOYSA-N
MW203.15 g/mol
LogP1.82
Rot. Bonds2

About 4-(difluoromethyl)-6-methyl-5-nitropyridin-3-amine

4-(difluoromethyl)-6-methyl-5-nitropyridin-3-amine (PubChem CID 130106268) has the molecular formula C7H7F2N3O2 and a molecular weight of 203.15 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-methyl-5-nitropyridin-3-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-methyl-5-nitropyridin-3-amine
PubChem CID130106268
Molecular FormulaC7H7F2N3O2
Molecular Weight203.15 g/mol
Exact Mass203.05
IUPAC Name4-(difluoromethyl)-6-methyl-5-nitropyridin-3-amine
SMILESCc1ncc(N)c(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C7H7F2N3O2/c1-3-6(12(13)14)5(7(8)9)4(10)2-11-3/h2,7H,10H2,1H3
InChIKeyDPTNZVMFJJNXEJ-UHFFFAOYSA-N
XLogP1.82
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.15
LogP ≤ 51.82
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-bromo-4-(difluoromethyl)-5-nitropyridin-3-amine
CID 130101844
5-(bromomethyl)-4-(difluoromethyl)-2-methyl-3-nitropyridine
CID 130088194
5-(difluoromethyl)-6-methoxy-4-nitropyridin-3-amine
CID 130105870
2-[5-(difluoromethyl)-6-methyl-4-nitro-3-pyridinyl]acetonitrile
CID 133098760
5-(difluoromethyl)-2-methyl-3-nitropyridine-4-carboxylic acid
CID 130088351
4-(difluoromethyl)-5-nitropyridin-3-amine
CID 130094685
5-(difluoromethyl)-2-methyl-4-nitropyridine-3-carboxamide
CID 133098851
5-(difluoromethyl)-2-methyl-4-nitropyridine-3-sulfonamide
CID 133098943
2-bromo-3-(difluoromethyl)-5-methyl-4-nitropyridine
CID 119021197
6-amino-5-(difluoromethyl)-4-nitropyridin-3-ol
CID 119007909
3-bromo-4-(difluoromethyl)-2-methyl-5-nitropyridine
CID 130069118
5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-amine
CID 130106341

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-methyl-5-nitropyridin-3-amine?
The IUPAC name of 4-(difluoromethyl)-6-methyl-5-nitropyridin-3-amine (CID 130106268) is 4-(difluoromethyl)-6-methyl-5-nitropyridin-3-amine.
What is the SMILES notation for 4-(difluoromethyl)-6-methyl-5-nitropyridin-3-amine?
The canonical SMILES for 4-(difluoromethyl)-6-methyl-5-nitropyridin-3-amine is Cc1ncc(N)c(C(F)F)c1[N+](=O)[O-].
What is the InChIKey of 4-(difluoromethyl)-6-methyl-5-nitropyridin-3-amine?
The InChIKey is DPTNZVMFJJNXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N3O2/c1-3-6(12(13)14)5(7(8)9)4(10)2-11-3/h2,7H,10H2,1H3.
What are the key properties of 4-(difluoromethyl)-6-methyl-5-nitropyridin-3-amine?
4-(difluoromethyl)-6-methyl-5-nitropyridin-3-amine has a molecular weight of 203.15 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-methyl-5-nitropyridin-3-amine is sourced from PubChem (CID 130106268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).