(6-chloro-2-methyl-3-pyridinyl)-[3-(4-fluorophenyl)azetidin-1-yl]methanone

C16H14ClFN2O — CID 167809516

IUPAC(6-chloro-2-methyl-3-pyridinyl)-[3-(4-fluorophenyl)azetidin-1-yl]methanone
SMILESCc1nc(Cl)ccc1C(=O)N1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C16H14ClFN2O/c1-10-14(6-7-15(17)19-10)16(21)20-8-12(9-20)11-2-4-13(18)5-3-11/h2-7,12H,8-9H2,1H3
InChIKeyVRPJWWCDCROFAI-UHFFFAOYSA-N
MW304.75 g/mol
LogP3.42
Rot. Bonds2

About (6-chloro-2-methyl-3-pyridinyl)-[3-(4-fluorophenyl)azetidin-1-yl]methanone

(6-chloro-2-methyl-3-pyridinyl)-[3-(4-fluorophenyl)azetidin-1-yl]methanone (PubChem CID 167809516) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is (6-chloro-2-methyl-3-pyridinyl)-[3-(4-fluorophenyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-2-methyl-3-pyridinyl)-[3-(4-fluorophenyl)azetidin-1-yl]methanone
PubChem CID167809516
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC Name(6-chloro-2-methyl-3-pyridinyl)-[3-(4-fluorophenyl)azetidin-1-yl]methanone
SMILESCc1nc(Cl)ccc1C(=O)N1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C16H14ClFN2O/c1-10-14(6-7-15(17)19-10)16(21)20-8-12(9-20)11-2-4-13(18)5-3-11/h2-7,12H,8-9H2,1H3
InChIKeyVRPJWWCDCROFAI-UHFFFAOYSA-N
XLogP3.42
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6-chloro-2-methyl-3-pyridinyl)-piperidin-1-ylmethanone
CID 168678066
(2,6-dichloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106994520
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[6-(4-fluorophenyl)-2-methyl-3-pyridinyl]methanone
CID 124938424
(6-chloro-2-methyl-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 24885199
[6-(4-fluorophenyl)-2-methyl-3-pyridinyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 124938472
(2-chloro-4-fluorophenyl)-[3-(4-fluorophenyl)azepan-1-yl]methanone
CID 121130954
(4-chloro-5-methyl-6-sulfanylidene-1H-pyridin-3-yl)-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412250
4-[(3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-3-yl]benzoic acid
CID 97204575
[3-(4-chlorophenyl)azepan-1-yl]-(2,4-difluorophenyl)methanone
CID 121146583
3-chloro-4-(5-chloro-2-methylanilino)-5-[3-(4-fluorophenyl)azetidine-1-carbonyl]pyridine-2-sulfonamide
CID 118412421
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride
CID 120656572
(2-chloro-4-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 63863883

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-methyl-3-pyridinyl)-[3-(4-fluorophenyl)azetidin-1-yl]methanone?
The IUPAC name of (6-chloro-2-methyl-3-pyridinyl)-[3-(4-fluorophenyl)azetidin-1-yl]methanone (CID 167809516) is (6-chloro-2-methyl-3-pyridinyl)-[3-(4-fluorophenyl)azetidin-1-yl]methanone.
What is the SMILES notation for (6-chloro-2-methyl-3-pyridinyl)-[3-(4-fluorophenyl)azetidin-1-yl]methanone?
The canonical SMILES for (6-chloro-2-methyl-3-pyridinyl)-[3-(4-fluorophenyl)azetidin-1-yl]methanone is Cc1nc(Cl)ccc1C(=O)N1CC(c2ccc(F)cc2)C1.
What is the InChIKey of (6-chloro-2-methyl-3-pyridinyl)-[3-(4-fluorophenyl)azetidin-1-yl]methanone?
The InChIKey is VRPJWWCDCROFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c1-10-14(6-7-15(17)19-10)16(21)20-8-12(9-20)11-2-4-13(18)5-3-11/h2-7,12H,8-9H2,1H3.
What are the key properties of (6-chloro-2-methyl-3-pyridinyl)-[3-(4-fluorophenyl)azetidin-1-yl]methanone?
(6-chloro-2-methyl-3-pyridinyl)-[3-(4-fluorophenyl)azetidin-1-yl]methanone has a molecular weight of 304.75 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-methyl-3-pyridinyl)-[3-(4-fluorophenyl)azetidin-1-yl]methanone is sourced from PubChem (CID 167809516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).