[5-chloro-3-(difluoromethyl)-6-nitro-2-pyridinyl]methanamine

C7H6ClF2N3O2 — CID 118808844

IUPAC[5-chloro-3-(difluoromethyl)-6-nitro-2-pyridinyl]methanamine
SMILESNCc1nc([N+](=O)[O-])c(Cl)cc1C(F)F
InChIInChI=1S/C7H6ClF2N3O2/c8-4-1-3(6(9)10)5(2-11)12-7(4)13(14)15/h1,6H,2,11H2
InChIKeyHXOVMHOYLCYZTC-UHFFFAOYSA-N
MW237.59 g/mol
LogP2.04
Rot. Bonds3

About [5-chloro-3-(difluoromethyl)-6-nitro-2-pyridinyl]methanamine

[5-chloro-3-(difluoromethyl)-6-nitro-2-pyridinyl]methanamine (PubChem CID 118808844) has the molecular formula C7H6ClF2N3O2 and a molecular weight of 237.59 g/mol. Its IUPAC name is [5-chloro-3-(difluoromethyl)-6-nitro-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-chloro-3-(difluoromethyl)-6-nitro-2-pyridinyl]methanamine
PubChem CID118808844
Molecular FormulaC7H6ClF2N3O2
Molecular Weight237.59 g/mol
Exact Mass237.01
IUPAC Name[5-chloro-3-(difluoromethyl)-6-nitro-2-pyridinyl]methanamine
SMILESNCc1nc([N+](=O)[O-])c(Cl)cc1C(F)F
InChIInChI=1S/C7H6ClF2N3O2/c8-4-1-3(6(9)10)5(2-11)12-7(4)13(14)15/h1,6H,2,11H2
InChIKeyHXOVMHOYLCYZTC-UHFFFAOYSA-N
XLogP2.04
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.59
LogP ≤ 52.04
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

3-chloro-2-(chloromethyl)-5-(difluoromethyl)-6-nitropyridine
CID 130074727
[5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]methanamine
CID 118842676
5-chloro-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride
CID 134670979
ethyl 5-chloro-3-(difluoromethyl)-6-nitropyridine-2-carboxylate
CID 134684763
2-(chloromethyl)-3-(difluoromethyl)-5-iodo-6-nitropyridine
CID 118826854
6-(bromomethyl)-5-(difluoromethyl)-2-nitropyridin-3-ol
CID 130084237
6-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine
CID 130102626
2-[5-amino-3-(difluoromethyl)-6-nitro-2-pyridinyl]acetonitrile
CID 130106916
[5-(difluoromethyl)-2-iodo-6-nitro-3-pyridinyl]methanamine
CID 130086516
[4-(difluoromethyl)-3-methyl-6-nitro-2-pyridinyl]methanamine
CID 118814451
[6-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanamine
CID 118831501
ethyl 3-chloro-5-(difluoromethyl)-6-nitropyridine-2-carboxylate
CID 134661789

Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-(difluoromethyl)-6-nitro-2-pyridinyl]methanamine?
The IUPAC name of [5-chloro-3-(difluoromethyl)-6-nitro-2-pyridinyl]methanamine (CID 118808844) is [5-chloro-3-(difluoromethyl)-6-nitro-2-pyridinyl]methanamine.
What is the SMILES notation for [5-chloro-3-(difluoromethyl)-6-nitro-2-pyridinyl]methanamine?
The canonical SMILES for [5-chloro-3-(difluoromethyl)-6-nitro-2-pyridinyl]methanamine is NCc1nc([N+](=O)[O-])c(Cl)cc1C(F)F.
What is the InChIKey of [5-chloro-3-(difluoromethyl)-6-nitro-2-pyridinyl]methanamine?
The InChIKey is HXOVMHOYLCYZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2N3O2/c8-4-1-3(6(9)10)5(2-11)12-7(4)13(14)15/h1,6H,2,11H2.
What are the key properties of [5-chloro-3-(difluoromethyl)-6-nitro-2-pyridinyl]methanamine?
[5-chloro-3-(difluoromethyl)-6-nitro-2-pyridinyl]methanamine has a molecular weight of 237.59 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-(difluoromethyl)-6-nitro-2-pyridinyl]methanamine is sourced from PubChem (CID 118808844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).