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

C7H7F2N3O2 — CID 130097864

IUPAC[4-(difluoromethyl)-2-nitro-3-pyridinyl]methanamine
SMILESNCc1c(C(F)F)ccnc1[N+](=O)[O-]
InChIInChI=1S/C7H7F2N3O2/c8-6(9)4-1-2-11-7(12(13)14)5(4)3-10/h1-2,6H,3,10H2
InChIKeyPNTVSRMMNBCEPQ-UHFFFAOYSA-N
MW203.15 g/mol
LogP1.39
Rot. Bonds3

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

[4-(difluoromethyl)-2-nitro-3-pyridinyl]methanamine (PubChem CID 130097864) has the molecular formula C7H7F2N3O2 and a molecular weight of 203.15 g/mol. Its IUPAC name is [4-(difluoromethyl)-2-nitro-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(difluoromethyl)-2-nitro-3-pyridinyl]methanamine
PubChem CID130097864
Molecular FormulaC7H7F2N3O2
Molecular Weight203.15 g/mol
Exact Mass203.05
IUPAC Name[4-(difluoromethyl)-2-nitro-3-pyridinyl]methanamine
SMILESNCc1c(C(F)F)ccnc1[N+](=O)[O-]
InChIInChI=1S/C7H7F2N3O2/c8-6(9)4-1-2-11-7(12(13)14)5(4)3-10/h1-2,6H,3,10H2
InChIKeyPNTVSRMMNBCEPQ-UHFFFAOYSA-N
XLogP1.39
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.15
LogP ≤ 51.39
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

4-(difluoromethyl)-3-iodo-2-nitropyridine
CID 118807047
[5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanamine
CID 133100289
[5-(difluoromethyl)-2-fluoro-4-nitro-3-pyridinyl]methanamine
CID 130081364
(3-bromo-2-nitro-4-pyridinyl)methanamine
CID 118840021
2-(chloromethyl)-4-(difluoromethyl)-3-nitropyridine
CID 118832467
3-(aminomethyl)-4-(difluoromethyl)-6-nitropyridin-2-amine
CID 134676856
[5-chloro-3-(difluoromethyl)-6-nitro-2-pyridinyl]methanamine
CID 118808844
[5-(difluoromethyl)-2-iodo-6-nitro-3-pyridinyl]methanamine
CID 130086516
[4-(difluoromethyl)-5-nitro-2-pyridinyl]methanamine
CID 118814251
2-(aminomethyl)-5-(difluoromethyl)-4-nitropyridin-3-amine
CID 134663951
4-bromo-5-(difluoromethyl)-2-nitropyridin-3-ol
CID 118828181
4-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine
CID 130102613

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-2-nitro-3-pyridinyl]methanamine?
The IUPAC name of [4-(difluoromethyl)-2-nitro-3-pyridinyl]methanamine (CID 130097864) is [4-(difluoromethyl)-2-nitro-3-pyridinyl]methanamine.
What is the SMILES notation for [4-(difluoromethyl)-2-nitro-3-pyridinyl]methanamine?
The canonical SMILES for [4-(difluoromethyl)-2-nitro-3-pyridinyl]methanamine is NCc1c(C(F)F)ccnc1[N+](=O)[O-].
What is the InChIKey of [4-(difluoromethyl)-2-nitro-3-pyridinyl]methanamine?
The InChIKey is PNTVSRMMNBCEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N3O2/c8-6(9)4-1-2-11-7(12(13)14)5(4)3-10/h1-2,6H,3,10H2.
What are the key properties of [4-(difluoromethyl)-2-nitro-3-pyridinyl]methanamine?
[4-(difluoromethyl)-2-nitro-3-pyridinyl]methanamine has a molecular weight of 203.15 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-2-nitro-3-pyridinyl]methanamine is sourced from PubChem (CID 130097864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).