[6-chloro-3-(methylamino)-2-pyridinyl]-(2-fluorophenyl)methanone

C13H10ClFN2O — CID 20520019

IUPAC[6-chloro-3-(methylamino)-2-pyridinyl]-(2-fluorophenyl)methanone
SMILESCNc1ccc(Cl)nc1C(=O)c1ccccc1F
InChIInChI=1S/C13H10ClFN2O/c1-16-10-6-7-11(14)17-12(10)13(18)8-4-2-3-5-9(8)15/h2-7,16H,1H3
InChIKeyBVLZRQWKGPCNPO-UHFFFAOYSA-N
MW264.69 g/mol
LogP3.15
Rot. Bonds3

About [6-chloro-3-(methylamino)-2-pyridinyl]-(2-fluorophenyl)methanone

[6-chloro-3-(methylamino)-2-pyridinyl]-(2-fluorophenyl)methanone (PubChem CID 20520019) has the molecular formula C13H10ClFN2O and a molecular weight of 264.69 g/mol. Its IUPAC name is [6-chloro-3-(methylamino)-2-pyridinyl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[6-chloro-3-(methylamino)-2-pyridinyl]-(2-fluorophenyl)methanone
PubChem CID20520019
Molecular FormulaC13H10ClFN2O
Molecular Weight264.69 g/mol
Exact Mass264.05
IUPAC Name[6-chloro-3-(methylamino)-2-pyridinyl]-(2-fluorophenyl)methanone
SMILESCNc1ccc(Cl)nc1C(=O)c1ccccc1F
InChIInChI=1S/C13H10ClFN2O/c1-16-10-6-7-11(14)17-12(10)13(18)8-4-2-3-5-9(8)15/h2-7,16H,1H3
InChIKeyBVLZRQWKGPCNPO-UHFFFAOYSA-N
XLogP3.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 53.15
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 [6-chloro-3-(methylamino)-2-pyridinyl]-(2-fluorophenyl)methanone?
The IUPAC name of [6-chloro-3-(methylamino)-2-pyridinyl]-(2-fluorophenyl)methanone (CID 20520019) is [6-chloro-3-(methylamino)-2-pyridinyl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [6-chloro-3-(methylamino)-2-pyridinyl]-(2-fluorophenyl)methanone?
The canonical SMILES for [6-chloro-3-(methylamino)-2-pyridinyl]-(2-fluorophenyl)methanone is CNc1ccc(Cl)nc1C(=O)c1ccccc1F.
What is the InChIKey of [6-chloro-3-(methylamino)-2-pyridinyl]-(2-fluorophenyl)methanone?
The InChIKey is BVLZRQWKGPCNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O/c1-16-10-6-7-11(14)17-12(10)13(18)8-4-2-3-5-9(8)15/h2-7,16H,1H3.
What are the key properties of [6-chloro-3-(methylamino)-2-pyridinyl]-(2-fluorophenyl)methanone?
[6-chloro-3-(methylamino)-2-pyridinyl]-(2-fluorophenyl)methanone has a molecular weight of 264.69 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-3-(methylamino)-2-pyridinyl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 20520019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).