6-(difluoromethyl)-5-nitropyridine-2,3-diamine

C6H6F2N4O2 — CID 119002066

IUPAC6-(difluoromethyl)-5-nitropyridine-2,3-diamine
SMILESNc1cc([N+](=O)[O-])c(C(F)F)nc1N
InChIInChI=1S/C6H6F2N4O2/c7-5(8)4-3(12(13)14)1-2(9)6(10)11-4/h1,5H,9H2,(H2,10,11)
InChIKeyWTCZXVNSKSLTQV-UHFFFAOYSA-N
MW204.14 g/mol
LogP1.09
Rot. Bonds2

About 6-(difluoromethyl)-5-nitropyridine-2,3-diamine

6-(difluoromethyl)-5-nitropyridine-2,3-diamine (PubChem CID 119002066) has the molecular formula C6H6F2N4O2 and a molecular weight of 204.14 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-nitropyridine-2,3-diamine.

Molecular Properties

Compound Name6-(difluoromethyl)-5-nitropyridine-2,3-diamine
PubChem CID119002066
Molecular FormulaC6H6F2N4O2
Molecular Weight204.14 g/mol
Exact Mass204.05
IUPAC Name6-(difluoromethyl)-5-nitropyridine-2,3-diamine
SMILESNc1cc([N+](=O)[O-])c(C(F)F)nc1N
InChIInChI=1S/C6H6F2N4O2/c7-5(8)4-3(12(13)14)1-2(9)6(10)11-4/h1,5H,9H2,(H2,10,11)
InChIKeyWTCZXVNSKSLTQV-UHFFFAOYSA-N
XLogP1.09
TPSA108.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.14
LogP ≤ 51.09
H-Bond Donors ≤ 52
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

6-(difluoromethyl)-5-methoxy-3-nitropyridin-2-amine
CID 119002952
6-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-3-amine
CID 130106849
5-bromo-2-(difluoromethyl)-6-fluoro-3-nitropyridine
CID 130109443
2-(difluoromethyl)-6-fluoro-5-iodo-3-nitropyridine
CID 118854544
6-(difluoromethyl)-2-fluoro-5-nitropyridine-3-carboxamide
CID 118820529
6-amino-2-(difluoromethyl)-4-nitropyridin-3-ol
CID 130104611
6-(difluoromethyl)-5-fluoropyridine-2,3-diamine
CID 130098596
3-bromo-6-(difluoromethyl)-5-nitropyridine-2-carbaldehyde
CID 130069920
5-(chloromethyl)-2-(difluoromethyl)-6-fluoro-3-nitropyridine
CID 130081475
6-(aminomethyl)-3-(difluoromethyl)-4-nitropyridin-2-amine
CID 119014709
[6-(difluoromethyl)-2-methoxy-5-nitro-3-pyridinyl]methanamine
CID 133100302
[5-amino-2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol
CID 130106958

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-nitropyridine-2,3-diamine?
The IUPAC name of 6-(difluoromethyl)-5-nitropyridine-2,3-diamine (CID 119002066) is 6-(difluoromethyl)-5-nitropyridine-2,3-diamine.
What is the SMILES notation for 6-(difluoromethyl)-5-nitropyridine-2,3-diamine?
The canonical SMILES for 6-(difluoromethyl)-5-nitropyridine-2,3-diamine is Nc1cc([N+](=O)[O-])c(C(F)F)nc1N.
What is the InChIKey of 6-(difluoromethyl)-5-nitropyridine-2,3-diamine?
The InChIKey is WTCZXVNSKSLTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N4O2/c7-5(8)4-3(12(13)14)1-2(9)6(10)11-4/h1,5H,9H2,(H2,10,11).
What are the key properties of 6-(difluoromethyl)-5-nitropyridine-2,3-diamine?
6-(difluoromethyl)-5-nitropyridine-2,3-diamine has a molecular weight of 204.14 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-nitropyridine-2,3-diamine is sourced from PubChem (CID 119002066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).