(2-amino-6-chloro-3-pyridinyl)-(2,6-difluorophenyl)methanone

C12H7ClF2N2O — CID 58590833

IUPAC(2-amino-6-chloro-3-pyridinyl)-(2,6-difluorophenyl)methanone
SMILESNc1nc(Cl)ccc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C12H7ClF2N2O/c13-9-5-4-6(12(16)17-9)11(18)10-7(14)2-1-3-8(10)15/h1-5H,(H2,16,17)
InChIKeyIBLRMBSPMSFTEP-UHFFFAOYSA-N
MW268.65 g/mol
LogP2.83
Rot. Bonds2

About (2-amino-6-chloro-3-pyridinyl)-(2,6-difluorophenyl)methanone

(2-amino-6-chloro-3-pyridinyl)-(2,6-difluorophenyl)methanone (PubChem CID 58590833) has the molecular formula C12H7ClF2N2O and a molecular weight of 268.65 g/mol. Its IUPAC name is (2-amino-6-chloro-3-pyridinyl)-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-6-chloro-3-pyridinyl)-(2,6-difluorophenyl)methanone
PubChem CID58590833
Molecular FormulaC12H7ClF2N2O
Molecular Weight268.65 g/mol
Exact Mass268.02
IUPAC Name(2-amino-6-chloro-3-pyridinyl)-(2,6-difluorophenyl)methanone
SMILESNc1nc(Cl)ccc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C12H7ClF2N2O/c13-9-5-4-6(12(16)17-9)11(18)10-7(14)2-1-3-8(10)15/h1-5H,(H2,16,17)
InChIKeyIBLRMBSPMSFTEP-UHFFFAOYSA-N
XLogP2.83
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.65
LogP ≤ 52.83
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 (2-amino-6-chloro-3-pyridinyl)-(2,6-difluorophenyl)methanone?
The IUPAC name of (2-amino-6-chloro-3-pyridinyl)-(2,6-difluorophenyl)methanone (CID 58590833) is (2-amino-6-chloro-3-pyridinyl)-(2,6-difluorophenyl)methanone.
What is the SMILES notation for (2-amino-6-chloro-3-pyridinyl)-(2,6-difluorophenyl)methanone?
The canonical SMILES for (2-amino-6-chloro-3-pyridinyl)-(2,6-difluorophenyl)methanone is Nc1nc(Cl)ccc1C(=O)c1c(F)cccc1F.
What is the InChIKey of (2-amino-6-chloro-3-pyridinyl)-(2,6-difluorophenyl)methanone?
The InChIKey is IBLRMBSPMSFTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2N2O/c13-9-5-4-6(12(16)17-9)11(18)10-7(14)2-1-3-8(10)15/h1-5H,(H2,16,17).
What are the key properties of (2-amino-6-chloro-3-pyridinyl)-(2,6-difluorophenyl)methanone?
(2-amino-6-chloro-3-pyridinyl)-(2,6-difluorophenyl)methanone has a molecular weight of 268.65 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-chloro-3-pyridinyl)-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 58590833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).