2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(4-fluorophenyl)pyridine

C23H20ClFN2 — CID 70353115

IUPAC2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2cccc(CN3CC=C(c4ccc(Cl)cc4)CC3)n2)cc1
InChIInChI=1S/C23H20ClFN2/c24-20-8-4-17(5-9-20)18-12-14-27(15-13-18)16-22-2-1-3-23(26-22)19-6-10-21(25)11-7-19/h1-12H,13-16H2
InChIKeyBIHHGLRWCHHFEC-UHFFFAOYSA-N
MW378.88 g/mol
LogP5.83
Rot. Bonds4

About 2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(4-fluorophenyl)pyridine

2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(4-fluorophenyl)pyridine (PubChem CID 70353115) has the molecular formula C23H20ClFN2 and a molecular weight of 378.88 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(4-fluorophenyl)pyridine.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(4-fluorophenyl)pyridine
PubChem CID70353115
Molecular FormulaC23H20ClFN2
Molecular Weight378.88 g/mol
Exact Mass378.13
IUPAC Name2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2cccc(CN3CC=C(c4ccc(Cl)cc4)CC3)n2)cc1
InChIInChI=1S/C23H20ClFN2/c24-20-8-4-17(5-9-20)18-12-14-27(15-13-18)16-22-2-1-3-23(26-22)19-6-10-21(25)11-7-19/h1-12H,13-16H2
InChIKeyBIHHGLRWCHHFEC-UHFFFAOYSA-N
XLogP5.83
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.88
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-phenylpyridine
CID 57108240
4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol
CID 6456261
4-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine
CID 2845212
3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-fluorophenyl)propan-1-ol
CID 23362144
6-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915416
6-[[6-(4-chlorophenyl)-2-pyridinyl]methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915439
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloropyridine
CID 23435960
2-cyclopropyl-6-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946792
2-(4-aminophenyl)-6-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946793
6-[[6-(4-fluorophenyl)-2-pyridinyl]methyl]-2-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946789
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-4-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 139636097
3-[3-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-6-fluoro-2,4-dihydro-1H-quinazoline
CID 70024806

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(4-fluorophenyl)pyridine?
The IUPAC name of 2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(4-fluorophenyl)pyridine (CID 70353115) is 2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(4-fluorophenyl)pyridine.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(4-fluorophenyl)pyridine?
The canonical SMILES for 2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(4-fluorophenyl)pyridine is Fc1ccc(-c2cccc(CN3CC=C(c4ccc(Cl)cc4)CC3)n2)cc1.
What is the InChIKey of 2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(4-fluorophenyl)pyridine?
The InChIKey is BIHHGLRWCHHFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2/c24-20-8-4-17(5-9-20)18-12-14-27(15-13-18)16-22-2-1-3-23(26-22)19-6-10-21(25)11-7-19/h1-12H,13-16H2.
What are the key properties of 2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(4-fluorophenyl)pyridine?
2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(4-fluorophenyl)pyridine has a molecular weight of 378.88 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-6-(4-fluorophenyl)pyridine is sourced from PubChem (CID 70353115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).