(3-amino-6-chloro-2-pyridinyl)-(2-fluorophenyl)methanone

C12H8ClFN2O — CID 20520026

IUPAC(3-amino-6-chloro-2-pyridinyl)-(2-fluorophenyl)methanone
SMILESNc1ccc(Cl)nc1C(=O)c1ccccc1F
InChIInChI=1S/C12H8ClFN2O/c13-10-6-5-9(15)11(16-10)12(17)7-3-1-2-4-8(7)14/h1-6H,15H2
InChIKeyKILUKCODFJSMCC-UHFFFAOYSA-N
MW250.66 g/mol
LogP2.69
Rot. Bonds2

About (3-amino-6-chloro-2-pyridinyl)-(2-fluorophenyl)methanone

(3-amino-6-chloro-2-pyridinyl)-(2-fluorophenyl)methanone (PubChem CID 20520026) has the molecular formula C12H8ClFN2O and a molecular weight of 250.66 g/mol. Its IUPAC name is (3-amino-6-chloro-2-pyridinyl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-6-chloro-2-pyridinyl)-(2-fluorophenyl)methanone
PubChem CID20520026
Molecular FormulaC12H8ClFN2O
Molecular Weight250.66 g/mol
Exact Mass250.03
IUPAC Name(3-amino-6-chloro-2-pyridinyl)-(2-fluorophenyl)methanone
SMILESNc1ccc(Cl)nc1C(=O)c1ccccc1F
InChIInChI=1S/C12H8ClFN2O/c13-10-6-5-9(15)11(16-10)12(17)7-3-1-2-4-8(7)14/h1-6H,15H2
InChIKeyKILUKCODFJSMCC-UHFFFAOYSA-N
XLogP2.69
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.66
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-amino-6-chloro-2-pyridinyl)-(2-fluorophenyl)methanone?
The IUPAC name of (3-amino-6-chloro-2-pyridinyl)-(2-fluorophenyl)methanone (CID 20520026) is (3-amino-6-chloro-2-pyridinyl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (3-amino-6-chloro-2-pyridinyl)-(2-fluorophenyl)methanone?
The canonical SMILES for (3-amino-6-chloro-2-pyridinyl)-(2-fluorophenyl)methanone is Nc1ccc(Cl)nc1C(=O)c1ccccc1F.
What is the InChIKey of (3-amino-6-chloro-2-pyridinyl)-(2-fluorophenyl)methanone?
The InChIKey is KILUKCODFJSMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O/c13-10-6-5-9(15)11(16-10)12(17)7-3-1-2-4-8(7)14/h1-6H,15H2.
What are the key properties of (3-amino-6-chloro-2-pyridinyl)-(2-fluorophenyl)methanone?
(3-amino-6-chloro-2-pyridinyl)-(2-fluorophenyl)methanone has a molecular weight of 250.66 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-chloro-2-pyridinyl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 20520026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).