3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(1-methyl-2H-pyridin-5-yl)methyl]pyridine

C19H17ClF2N2O — CID 141416182

IUPAC3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(1-methyl-2H-pyridin-5-yl)methyl]pyridine
SMILESCN1C=C(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)C=CC1
InChIInChI=1S/C19H17ClF2N2O/c1-24-7-3-4-13(12-24)8-14-9-17(15-5-2-6-16(20)10-15)18(23-11-14)25-19(21)22/h2-6,9-12,19H,7-8H2,1H3
InChIKeyIBOLIQCWBHFFKF-UHFFFAOYSA-N
MW362.81 g/mol
LogP4.93
Rot. Bonds5

About 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(1-methyl-2H-pyridin-5-yl)methyl]pyridine

3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(1-methyl-2H-pyridin-5-yl)methyl]pyridine (PubChem CID 141416182) has the molecular formula C19H17ClF2N2O and a molecular weight of 362.81 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(1-methyl-2H-pyridin-5-yl)methyl]pyridine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(1-methyl-2H-pyridin-5-yl)methyl]pyridine
PubChem CID141416182
Molecular FormulaC19H17ClF2N2O
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(1-methyl-2H-pyridin-5-yl)methyl]pyridine
SMILESCN1C=C(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)C=CC1
InChIInChI=1S/C19H17ClF2N2O/c1-24-7-3-4-13(12-24)8-14-9-17(15-5-2-6-16(20)10-15)18(23-11-14)25-19(21)22/h2-6,9-12,19H,7-8H2,1H3
InChIKeyIBOLIQCWBHFFKF-UHFFFAOYSA-N
XLogP4.93
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methoxypyrimidine
CID 86296758
3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(6-methyl-3-pyridinyl)methyl]pyridine
CID 86304918
3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine
CID 90440708
3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine
CID 90440684
6-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-9H-fluoren-3-amine
CID 150659230
3-(3-chlorophenyl)-5-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-(difluoromethoxy)pyridine
CID 90415611
N'-[amino-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]amino]methanimidamide
CID 134447642
1-[[5-(3-chlorophenyl)-6-(1-fluoroethoxy)-3-pyridinyl]methyl]-N-methyl-1,2,4-triazol-3-amine
CID 163992119
5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1-methylpyridin-2-one
CID 86304433
5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-N-methylpyridin-2-amine
CID 140545391
4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2-oxazole
CID 86296158
5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-4-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 123654264

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(1-methyl-2H-pyridin-5-yl)methyl]pyridine?
The IUPAC name of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(1-methyl-2H-pyridin-5-yl)methyl]pyridine (CID 141416182) is 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(1-methyl-2H-pyridin-5-yl)methyl]pyridine.
What is the SMILES notation for 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(1-methyl-2H-pyridin-5-yl)methyl]pyridine?
The canonical SMILES for 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(1-methyl-2H-pyridin-5-yl)methyl]pyridine is CN1C=C(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)C=CC1.
What is the InChIKey of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(1-methyl-2H-pyridin-5-yl)methyl]pyridine?
The InChIKey is IBOLIQCWBHFFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N2O/c1-24-7-3-4-13(12-24)8-14-9-17(15-5-2-6-16(20)10-15)18(23-11-14)25-19(21)22/h2-6,9-12,19H,7-8H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(1-methyl-2H-pyridin-5-yl)methyl]pyridine?
3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(1-methyl-2H-pyridin-5-yl)methyl]pyridine has a molecular weight of 362.81 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(1-methyl-2H-pyridin-5-yl)methyl]pyridine is sourced from PubChem (CID 141416182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).