4-[6-chloro-1-(5-fluoro-2-pyridinyl)-4-methyl-2H-pyridin-3-yl]-2-deuterio-6-methylpyridine

C17H15ClFN3 — CID 175992268

IUPAC4-[6-chloro-1-(5-fluoro-2-pyridinyl)-4-methyl-2H-pyridin-3-yl]-2-deuterio-6-methylpyridine
SMILES[2H]c1cc(C2=C(C)C=C(Cl)N(c3ccc(F)cn3)C2)cc(C)n1
InChIInChI=1S/C17H15ClFN3/c1-11-7-16(18)22(17-4-3-14(19)9-21-17)10-15(11)13-5-6-20-12(2)8-13/h3-9H,10H2,1-2H3/i6D
InChIKeyFFDJMTHSCVGLTF-RAMDWTOOSA-N
MW316.79 g/mol
LogP4.30
Rot. Bonds2

About 4-[6-chloro-1-(5-fluoro-2-pyridinyl)-4-methyl-2H-pyridin-3-yl]-2-deuterio-6-methylpyridine

4-[6-chloro-1-(5-fluoro-2-pyridinyl)-4-methyl-2H-pyridin-3-yl]-2-deuterio-6-methylpyridine (PubChem CID 175992268) has the molecular formula C17H15ClFN3 and a molecular weight of 316.79 g/mol. Its IUPAC name is 4-[6-chloro-1-(5-fluoro-2-pyridinyl)-4-methyl-2H-pyridin-3-yl]-2-deuterio-6-methylpyridine.

Molecular Properties

Compound Name4-[6-chloro-1-(5-fluoro-2-pyridinyl)-4-methyl-2H-pyridin-3-yl]-2-deuterio-6-methylpyridine
PubChem CID175992268
Molecular FormulaC17H15ClFN3
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name4-[6-chloro-1-(5-fluoro-2-pyridinyl)-4-methyl-2H-pyridin-3-yl]-2-deuterio-6-methylpyridine
SMILES[2H]c1cc(C2=C(C)C=C(Cl)N(c3ccc(F)cn3)C2)cc(C)n1
InChIInChI=1S/C17H15ClFN3/c1-11-7-16(18)22(17-4-3-14(19)9-21-17)10-15(11)13-5-6-20-12(2)8-13/h3-9H,10H2,1-2H3/i6D
InChIKeyFFDJMTHSCVGLTF-RAMDWTOOSA-N
XLogP4.30
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-deuterio-4-[2-(5-fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]-6-methylpyridine
CID 175992301
4-[1-(5-fluoro-2-pyridinyl)-4-methyl-2H-pyridin-3-yl]-2-(trifluoromethoxy)pyridine
CID 175992309
5-(4,6-dimethylpyrimidin-2-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 163352607
2-(5-fluoro-2-pyridinyl)-5-methyl-4H-pyrazol-3-one
CID 176698982
5-(2-cyclopropyl-6-methylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 163354705
2-(4-chloro-3-methylpiperidin-1-yl)-5-fluoropyridine
CID 114682637
CID 58036486
CID 58036486
3-[2-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-6-methylpyrimidin-4-one
CID 163358450
3-bromo-1-(5-fluoro-2-pyridinyl)piperidine-2,4-dione
CID 89027480
ethane;2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-5-methylpyrimidine
CID 178161753
8-(5-chloro-3-methyl-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-(5-fluoro-2-pyridinyl)-2,5,8-triazaspiro[3.5]nonane-6,9-dione
CID 146465038
CID 58036485
CID 58036485

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-1-(5-fluoro-2-pyridinyl)-4-methyl-2H-pyridin-3-yl]-2-deuterio-6-methylpyridine?
The IUPAC name of 4-[6-chloro-1-(5-fluoro-2-pyridinyl)-4-methyl-2H-pyridin-3-yl]-2-deuterio-6-methylpyridine (CID 175992268) is 4-[6-chloro-1-(5-fluoro-2-pyridinyl)-4-methyl-2H-pyridin-3-yl]-2-deuterio-6-methylpyridine.
What is the SMILES notation for 4-[6-chloro-1-(5-fluoro-2-pyridinyl)-4-methyl-2H-pyridin-3-yl]-2-deuterio-6-methylpyridine?
The canonical SMILES for 4-[6-chloro-1-(5-fluoro-2-pyridinyl)-4-methyl-2H-pyridin-3-yl]-2-deuterio-6-methylpyridine is [2H]c1cc(C2=C(C)C=C(Cl)N(c3ccc(F)cn3)C2)cc(C)n1.
What is the InChIKey of 4-[6-chloro-1-(5-fluoro-2-pyridinyl)-4-methyl-2H-pyridin-3-yl]-2-deuterio-6-methylpyridine?
The InChIKey is FFDJMTHSCVGLTF-RAMDWTOOSA-N. The full InChI is InChI=1S/C17H15ClFN3/c1-11-7-16(18)22(17-4-3-14(19)9-21-17)10-15(11)13-5-6-20-12(2)8-13/h3-9H,10H2,1-2H3/i6D.
What are the key properties of 4-[6-chloro-1-(5-fluoro-2-pyridinyl)-4-methyl-2H-pyridin-3-yl]-2-deuterio-6-methylpyridine?
4-[6-chloro-1-(5-fluoro-2-pyridinyl)-4-methyl-2H-pyridin-3-yl]-2-deuterio-6-methylpyridine has a molecular weight of 316.79 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-1-(5-fluoro-2-pyridinyl)-4-methyl-2H-pyridin-3-yl]-2-deuterio-6-methylpyridine is sourced from PubChem (CID 175992268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).