[5-(difluoromethyl)-2-fluoro-4-nitro-3-pyridinyl]methanamine

C7H6F3N3O2 — CID 130081364

IUPAC[5-(difluoromethyl)-2-fluoro-4-nitro-3-pyridinyl]methanamine
SMILESNCc1c(F)ncc(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C7H6F3N3O2/c8-6(9)4-2-12-7(10)3(1-11)5(4)13(14)15/h2,6H,1,11H2
InChIKeyZQRRJDKHRZZSOW-UHFFFAOYSA-N
MW221.14 g/mol
LogP1.53
Rot. Bonds3

About [5-(difluoromethyl)-2-fluoro-4-nitro-3-pyridinyl]methanamine

[5-(difluoromethyl)-2-fluoro-4-nitro-3-pyridinyl]methanamine (PubChem CID 130081364) has the molecular formula C7H6F3N3O2 and a molecular weight of 221.14 g/mol. Its IUPAC name is [5-(difluoromethyl)-2-fluoro-4-nitro-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(difluoromethyl)-2-fluoro-4-nitro-3-pyridinyl]methanamine
PubChem CID130081364
Molecular FormulaC7H6F3N3O2
Molecular Weight221.14 g/mol
Exact Mass221.04
IUPAC Name[5-(difluoromethyl)-2-fluoro-4-nitro-3-pyridinyl]methanamine
SMILESNCc1c(F)ncc(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C7H6F3N3O2/c8-6(9)4-2-12-7(10)3(1-11)5(4)13(14)15/h2,6H,1,11H2
InChIKeyZQRRJDKHRZZSOW-UHFFFAOYSA-N
XLogP1.53
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-5-(difluoromethyl)-4-nitropyridin-3-amine
CID 134663951
[4-(difluoromethyl)-6-fluoro-5-nitro-3-pyridinyl]methanamine
CID 130081363
2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-nitropyridine
CID 119021688
[2-chloro-5-(difluoromethyl)-4-nitro-3-pyridinyl]methanol
CID 119001037
5-(difluoromethyl)-4-nitropyridine-2,3-diamine
CID 119023980
[4-(difluoromethyl)-2-nitro-3-pyridinyl]methanamine
CID 130097864
5-(difluoromethyl)-4-fluoro-3-nitropyridine-2-carboxylic acid
CID 130081512
2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-4-nitropyridine
CID 118827149
2-bromo-4-(bromomethyl)-5-(difluoromethyl)-3-nitropyridine
CID 130069731
[3-chloro-5-(difluoromethyl)-2-fluoro-4-pyridinyl]methanamine
CID 118829918
5-(difluoromethyl)-4-iodo-3-nitropyridin-2-amine
CID 130105226
[5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanamine
CID 133100289

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-2-fluoro-4-nitro-3-pyridinyl]methanamine?
The IUPAC name of [5-(difluoromethyl)-2-fluoro-4-nitro-3-pyridinyl]methanamine (CID 130081364) is [5-(difluoromethyl)-2-fluoro-4-nitro-3-pyridinyl]methanamine.
What is the SMILES notation for [5-(difluoromethyl)-2-fluoro-4-nitro-3-pyridinyl]methanamine?
The canonical SMILES for [5-(difluoromethyl)-2-fluoro-4-nitro-3-pyridinyl]methanamine is NCc1c(F)ncc(C(F)F)c1[N+](=O)[O-].
What is the InChIKey of [5-(difluoromethyl)-2-fluoro-4-nitro-3-pyridinyl]methanamine?
The InChIKey is ZQRRJDKHRZZSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O2/c8-6(9)4-2-12-7(10)3(1-11)5(4)13(14)15/h2,6H,1,11H2.
What are the key properties of [5-(difluoromethyl)-2-fluoro-4-nitro-3-pyridinyl]methanamine?
[5-(difluoromethyl)-2-fluoro-4-nitro-3-pyridinyl]methanamine has a molecular weight of 221.14 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-2-fluoro-4-nitro-3-pyridinyl]methanamine is sourced from PubChem (CID 130081364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).