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

C16H11ClFN5O2 — CID 66870490

IUPAC5-(2-amino-5-chloro-4-pyridinyl)-6-(2-fluorophenyl)-3-nitropyridin-2-amine
SMILESNc1cc(-c2cc([N+](=O)[O-])c(N)nc2-c2ccccc2F)c(Cl)cn1
InChIInChI=1S/C16H11ClFN5O2/c17-11-7-21-14(19)6-9(11)10-5-13(23(24)25)16(20)22-15(10)8-3-1-2-4-12(8)18/h1-7H,(H2,19,21)(H2,20,22)
InChIKeyVZDVNMQDBSGYAH-UHFFFAOYSA-N
MW359.75 g/mol
LogP3.68
Rot. Bonds3

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

5-(2-amino-5-chloro-4-pyridinyl)-6-(2-fluorophenyl)-3-nitropyridin-2-amine (PubChem CID 66870490) has the molecular formula C16H11ClFN5O2 and a molecular weight of 359.75 g/mol. Its IUPAC name is 5-(2-amino-5-chloro-4-pyridinyl)-6-(2-fluorophenyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name5-(2-amino-5-chloro-4-pyridinyl)-6-(2-fluorophenyl)-3-nitropyridin-2-amine
PubChem CID66870490
Molecular FormulaC16H11ClFN5O2
Molecular Weight359.75 g/mol
Exact Mass359.06
IUPAC Name5-(2-amino-5-chloro-4-pyridinyl)-6-(2-fluorophenyl)-3-nitropyridin-2-amine
SMILESNc1cc(-c2cc([N+](=O)[O-])c(N)nc2-c2ccccc2F)c(Cl)cn1
InChIInChI=1S/C16H11ClFN5O2/c17-11-7-21-14(19)6-9(11)10-5-13(23(24)25)16(20)22-15(10)8-3-1-2-4-12(8)18/h1-7H,(H2,19,21)(H2,20,22)
InChIKeyVZDVNMQDBSGYAH-UHFFFAOYSA-N
XLogP3.68
TPSA120.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.75
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2-amino-5-chloro-4-pyridinyl)-6-(2-fluorophenyl)-3-nitropyridin-2-amine?
The IUPAC name of 5-(2-amino-5-chloro-4-pyridinyl)-6-(2-fluorophenyl)-3-nitropyridin-2-amine (CID 66870490) is 5-(2-amino-5-chloro-4-pyridinyl)-6-(2-fluorophenyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 5-(2-amino-5-chloro-4-pyridinyl)-6-(2-fluorophenyl)-3-nitropyridin-2-amine?
The canonical SMILES for 5-(2-amino-5-chloro-4-pyridinyl)-6-(2-fluorophenyl)-3-nitropyridin-2-amine is Nc1cc(-c2cc([N+](=O)[O-])c(N)nc2-c2ccccc2F)c(Cl)cn1.
What is the InChIKey of 5-(2-amino-5-chloro-4-pyridinyl)-6-(2-fluorophenyl)-3-nitropyridin-2-amine?
The InChIKey is VZDVNMQDBSGYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN5O2/c17-11-7-21-14(19)6-9(11)10-5-13(23(24)25)16(20)22-15(10)8-3-1-2-4-12(8)18/h1-7H,(H2,19,21)(H2,20,22).
What are the key properties of 5-(2-amino-5-chloro-4-pyridinyl)-6-(2-fluorophenyl)-3-nitropyridin-2-amine?
5-(2-amino-5-chloro-4-pyridinyl)-6-(2-fluorophenyl)-3-nitropyridin-2-amine has a molecular weight of 359.75 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-5-chloro-4-pyridinyl)-6-(2-fluorophenyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 66870490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).