6-(aminomethyl)-2-(difluoromethyl)-3-nitropyridine-4-carbonitrile

C8H6F2N4O2 — CID 130078539

IUPAC6-(aminomethyl)-2-(difluoromethyl)-3-nitropyridine-4-carbonitrile
SMILESN#Cc1cc(CN)nc(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C8H6F2N4O2/c9-8(10)6-7(14(15)16)4(2-11)1-5(3-12)13-6/h1,8H,3,12H2
InChIKeyNNLAZEHTTGNQMN-UHFFFAOYSA-N
MW228.16 g/mol
LogP1.26
Rot. Bonds3

About 6-(aminomethyl)-2-(difluoromethyl)-3-nitropyridine-4-carbonitrile

6-(aminomethyl)-2-(difluoromethyl)-3-nitropyridine-4-carbonitrile (PubChem CID 130078539) has the molecular formula C8H6F2N4O2 and a molecular weight of 228.16 g/mol. Its IUPAC name is 6-(aminomethyl)-2-(difluoromethyl)-3-nitropyridine-4-carbonitrile.

Molecular Properties

Compound Name6-(aminomethyl)-2-(difluoromethyl)-3-nitropyridine-4-carbonitrile
PubChem CID130078539
Molecular FormulaC8H6F2N4O2
Molecular Weight228.16 g/mol
Exact Mass228.05
IUPAC Name6-(aminomethyl)-2-(difluoromethyl)-3-nitropyridine-4-carbonitrile
SMILESN#Cc1cc(CN)nc(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C8H6F2N4O2/c9-8(10)6-7(14(15)16)4(2-11)1-5(3-12)13-6/h1,8H,3,12H2
InChIKeyNNLAZEHTTGNQMN-UHFFFAOYSA-N
XLogP1.26
TPSA105.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.16
LogP ≤ 51.26
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

6-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carbonitrile
CID 130078176
6-(bromomethyl)-2-(difluoromethyl)-3-nitropyridin-4-amine
CID 130106838
2-[6-amino-2-(difluoromethyl)-3-nitro-4-pyridinyl]acetonitrile
CID 130106902
2-[5-(aminomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 133106969
6-cyano-2-(difluoromethyl)-3-nitropyridine-4-sulfonamide
CID 134675468
6-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130108753
ethyl 4-cyano-6-(difluoromethyl)-3-nitropyridine-2-carboxylate
CID 133107301
3-(aminomethyl)-5-chloro-2-nitrobenzonitrile
CID 171015807
2-[6-(aminomethyl)-3-cyano-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 133107162
2-[4-cyano-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetic acid
CID 130077721
2-[6-(difluoromethyl)-4-iodo-5-nitro-2-pyridinyl]acetic acid
CID 118843110
4-(chloromethyl)-6-(difluoromethyl)-3-nitropyridine-2-carbonitrile
CID 130078657

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-(difluoromethyl)-3-nitropyridine-4-carbonitrile?
The IUPAC name of 6-(aminomethyl)-2-(difluoromethyl)-3-nitropyridine-4-carbonitrile (CID 130078539) is 6-(aminomethyl)-2-(difluoromethyl)-3-nitropyridine-4-carbonitrile.
What is the SMILES notation for 6-(aminomethyl)-2-(difluoromethyl)-3-nitropyridine-4-carbonitrile?
The canonical SMILES for 6-(aminomethyl)-2-(difluoromethyl)-3-nitropyridine-4-carbonitrile is N#Cc1cc(CN)nc(C(F)F)c1[N+](=O)[O-].
What is the InChIKey of 6-(aminomethyl)-2-(difluoromethyl)-3-nitropyridine-4-carbonitrile?
The InChIKey is NNLAZEHTTGNQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N4O2/c9-8(10)6-7(14(15)16)4(2-11)1-5(3-12)13-6/h1,8H,3,12H2.
What are the key properties of 6-(aminomethyl)-2-(difluoromethyl)-3-nitropyridine-4-carbonitrile?
6-(aminomethyl)-2-(difluoromethyl)-3-nitropyridine-4-carbonitrile has a molecular weight of 228.16 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2-(difluoromethyl)-3-nitropyridine-4-carbonitrile is sourced from PubChem (CID 130078539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).