(2,3-difluoro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C12H12F2N2O — CID 106313560

IUPAC(2,3-difluoro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1=CCCN(C(=O)c2ccnc(F)c2F)C1
InChIInChI=1S/C12H12F2N2O/c1-8-3-2-6-16(7-8)12(17)9-4-5-15-11(14)10(9)13/h3-5H,2,6-7H2,1H3
InChIKeyPBUIOPCPXKHVHR-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.15
Rot. Bonds1

About (2,3-difluoro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

(2,3-difluoro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 106313560) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is (2,3-difluoro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(2,3-difluoro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID106313560
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name(2,3-difluoro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1=CCCN(C(=O)c2ccnc(F)c2F)C1
InChIInChI=1S/C12H12F2N2O/c1-8-3-2-6-16(7-8)12(17)9-4-5-15-11(14)10(9)13/h3-5H,2,6-7H2,1H3
InChIKeyPBUIOPCPXKHVHR-UHFFFAOYSA-N
XLogP2.15
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,3-difluoro-4-pyridinyl)-pyrrolidin-1-ylmethanone
CID 105380117
(4-fluoro-2-methylphenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106313557
4-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid
CID 106316266
(2,3-difluoro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 105381176
(4-fluoro-2-iodophenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106314285
(2-amino-4-fluorophenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106313202
(2,3-difluoro-4-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 105380406
ethyl 1-(2,3-difluoropyridine-4-carbonyl)piperidine-4-carboxylate
CID 105380316
N-[1-(2,3-difluoropyridine-4-carbonyl)piperidin-3-yl]acetamide
CID 105380881
(2,3-difluoro-4-pyridinyl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 105380192
(2,5-dihydroxyphenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106314386
4-fluoro-2-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide
CID 106316195

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (2,3-difluoro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 106313560) is (2,3-difluoro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (2,3-difluoro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (2,3-difluoro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is CC1=CCCN(C(=O)c2ccnc(F)c2F)C1.
What is the InChIKey of (2,3-difluoro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is PBUIOPCPXKHVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-8-3-2-6-16(7-8)12(17)9-4-5-15-11(14)10(9)13/h3-5H,2,6-7H2,1H3.
What are the key properties of (2,3-difluoro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
(2,3-difluoro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 238.24 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 106313560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).