5-(3-chloro-4-pyridinyl)-6-(2-fluorophenyl)-3-nitropyridin-2-amine

C16H10ClFN4O2 — CID 66870489

IUPAC5-(3-chloro-4-pyridinyl)-6-(2-fluorophenyl)-3-nitropyridin-2-amine
SMILESNc1nc(-c2ccccc2F)c(-c2ccncc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C16H10ClFN4O2/c17-12-8-20-6-5-9(12)11-7-14(22(23)24)16(19)21-15(11)10-3-1-2-4-13(10)18/h1-8H,(H2,19,21)
InChIKeyOYHNFPDMOCJODP-UHFFFAOYSA-N
MW344.73 g/mol
LogP4.09
Rot. Bonds3

About 5-(3-chloro-4-pyridinyl)-6-(2-fluorophenyl)-3-nitropyridin-2-amine

5-(3-chloro-4-pyridinyl)-6-(2-fluorophenyl)-3-nitropyridin-2-amine (PubChem CID 66870489) has the molecular formula C16H10ClFN4O2 and a molecular weight of 344.73 g/mol. Its IUPAC name is 5-(3-chloro-4-pyridinyl)-6-(2-fluorophenyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name5-(3-chloro-4-pyridinyl)-6-(2-fluorophenyl)-3-nitropyridin-2-amine
PubChem CID66870489
Molecular FormulaC16H10ClFN4O2
Molecular Weight344.73 g/mol
Exact Mass344.05
IUPAC Name5-(3-chloro-4-pyridinyl)-6-(2-fluorophenyl)-3-nitropyridin-2-amine
SMILESNc1nc(-c2ccccc2F)c(-c2ccncc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C16H10ClFN4O2/c17-12-8-20-6-5-9(12)11-7-14(22(23)24)16(19)21-15(11)10-3-1-2-4-13(10)18/h1-8H,(H2,19,21)
InChIKeyOYHNFPDMOCJODP-UHFFFAOYSA-N
XLogP4.09
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.73
LogP ≤ 54.09
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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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-pyridinyl)-6-(2-fluorophenyl)-3-nitropyridin-2-amine?
The IUPAC name of 5-(3-chloro-4-pyridinyl)-6-(2-fluorophenyl)-3-nitropyridin-2-amine (CID 66870489) is 5-(3-chloro-4-pyridinyl)-6-(2-fluorophenyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 5-(3-chloro-4-pyridinyl)-6-(2-fluorophenyl)-3-nitropyridin-2-amine?
The canonical SMILES for 5-(3-chloro-4-pyridinyl)-6-(2-fluorophenyl)-3-nitropyridin-2-amine is Nc1nc(-c2ccccc2F)c(-c2ccncc2Cl)cc1[N+](=O)[O-].
What is the InChIKey of 5-(3-chloro-4-pyridinyl)-6-(2-fluorophenyl)-3-nitropyridin-2-amine?
The InChIKey is OYHNFPDMOCJODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN4O2/c17-12-8-20-6-5-9(12)11-7-14(22(23)24)16(19)21-15(11)10-3-1-2-4-13(10)18/h1-8H,(H2,19,21).
What are the key properties of 5-(3-chloro-4-pyridinyl)-6-(2-fluorophenyl)-3-nitropyridin-2-amine?
5-(3-chloro-4-pyridinyl)-6-(2-fluorophenyl)-3-nitropyridin-2-amine has a molecular weight of 344.73 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-pyridinyl)-6-(2-fluorophenyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 66870489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).