(2,6-dichloro-4-pyridinyl)-[3-[(3,4-difluorophenyl)methyl]azetidin-1-yl]methanone

C16H12Cl2F2N2O — CID 154841153

IUPAC(2,6-dichloro-4-pyridinyl)-[3-[(3,4-difluorophenyl)methyl]azetidin-1-yl]methanone
SMILESO=C(c1cc(Cl)nc(Cl)c1)N1CC(Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C16H12Cl2F2N2O/c17-14-5-11(6-15(18)21-14)16(23)22-7-10(8-22)3-9-1-2-12(19)13(20)4-9/h1-2,4-6,10H,3,7-8H2
InChIKeyHDIITGCNHSVYCR-UHFFFAOYSA-N
MW357.19 g/mol
LogP3.98
Rot. Bonds3

About (2,6-dichloro-4-pyridinyl)-[3-[(3,4-difluorophenyl)methyl]azetidin-1-yl]methanone

(2,6-dichloro-4-pyridinyl)-[3-[(3,4-difluorophenyl)methyl]azetidin-1-yl]methanone (PubChem CID 154841153) has the molecular formula C16H12Cl2F2N2O and a molecular weight of 357.19 g/mol. Its IUPAC name is (2,6-dichloro-4-pyridinyl)-[3-[(3,4-difluorophenyl)methyl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dichloro-4-pyridinyl)-[3-[(3,4-difluorophenyl)methyl]azetidin-1-yl]methanone
PubChem CID154841153
Molecular FormulaC16H12Cl2F2N2O
Molecular Weight357.19 g/mol
Exact Mass356.03
IUPAC Name(2,6-dichloro-4-pyridinyl)-[3-[(3,4-difluorophenyl)methyl]azetidin-1-yl]methanone
SMILESO=C(c1cc(Cl)nc(Cl)c1)N1CC(Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C16H12Cl2F2N2O/c17-14-5-11(6-15(18)21-14)16(23)22-7-10(8-22)3-9-1-2-12(19)13(20)4-9/h1-2,4-6,10H,3,7-8H2
InChIKeyHDIITGCNHSVYCR-UHFFFAOYSA-N
XLogP3.98
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.19
LogP ≤ 53.98
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

2-chloro-1-[3-[(3,4-difluorophenyl)methyl]azetidin-1-yl]ethanone
CID 166404020
(3-chloro-4-methylphenyl)-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]methanone
CID 166317902
(2,6-dimethyl-4-pyridinyl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone
CID 166623325
[3-[(3,4-difluorophenyl)methyl]pyrrolidin-1-yl]-(2,3-dihydroxyphenyl)methanone
CID 122139592
3-[(3R)-1-(2-chloropyridine-4-carbonyl)piperidin-3-yl]-N-[(3,4-difluorophenyl)methyl]propanamide
CID 42214289
1-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-2-hydroxyethanone
CID 122138939
trans-(1R,2R)-2-[3-[(3,4-difluorophenyl)methyl]pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 166239722
4-(cyclobutylmethyl)-1,2-difluorobenzene
CID 58414524
(2,6-dichloro-4-pyridinyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 61053042
(2-chloro-6-propyl-4-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106668684
(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone
CID 166620694
3-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-2-methyl-3-oxopropanoic acid
CID 122065991

Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-4-pyridinyl)-[3-[(3,4-difluorophenyl)methyl]azetidin-1-yl]methanone?
The IUPAC name of (2,6-dichloro-4-pyridinyl)-[3-[(3,4-difluorophenyl)methyl]azetidin-1-yl]methanone (CID 154841153) is (2,6-dichloro-4-pyridinyl)-[3-[(3,4-difluorophenyl)methyl]azetidin-1-yl]methanone.
What is the SMILES notation for (2,6-dichloro-4-pyridinyl)-[3-[(3,4-difluorophenyl)methyl]azetidin-1-yl]methanone?
The canonical SMILES for (2,6-dichloro-4-pyridinyl)-[3-[(3,4-difluorophenyl)methyl]azetidin-1-yl]methanone is O=C(c1cc(Cl)nc(Cl)c1)N1CC(Cc2ccc(F)c(F)c2)C1.
What is the InChIKey of (2,6-dichloro-4-pyridinyl)-[3-[(3,4-difluorophenyl)methyl]azetidin-1-yl]methanone?
The InChIKey is HDIITGCNHSVYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2F2N2O/c17-14-5-11(6-15(18)21-14)16(23)22-7-10(8-22)3-9-1-2-12(19)13(20)4-9/h1-2,4-6,10H,3,7-8H2.
What are the key properties of (2,6-dichloro-4-pyridinyl)-[3-[(3,4-difluorophenyl)methyl]azetidin-1-yl]methanone?
(2,6-dichloro-4-pyridinyl)-[3-[(3,4-difluorophenyl)methyl]azetidin-1-yl]methanone has a molecular weight of 357.19 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-4-pyridinyl)-[3-[(3,4-difluorophenyl)methyl]azetidin-1-yl]methanone is sourced from PubChem (CID 154841153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).