3-[[4-(2-chlorophenyl)phenyl]methoxymethyl]pyridine

C19H16ClNO — CID 3066106

IUPAC3-[[4-(2-chlorophenyl)phenyl]methoxymethyl]pyridine
SMILESClc1ccccc1-c1ccc(COCc2cccnc2)cc1
InChIInChI=1S/C19H16ClNO/c20-19-6-2-1-5-18(19)17-9-7-15(8-10-17)13-22-14-16-4-3-11-21-12-16/h1-12H,13-14H2
InChIKeyUUBWIYAWFAKHEH-UHFFFAOYSA-N
MW309.80 g/mol
LogP5.12
Rot. Bonds5

About 3-[[4-(2-chlorophenyl)phenyl]methoxymethyl]pyridine

3-[[4-(2-chlorophenyl)phenyl]methoxymethyl]pyridine (PubChem CID 3066106) has the molecular formula C19H16ClNO and a molecular weight of 309.80 g/mol. Its IUPAC name is 3-[[4-(2-chlorophenyl)phenyl]methoxymethyl]pyridine.

Molecular Properties

Compound Name3-[[4-(2-chlorophenyl)phenyl]methoxymethyl]pyridine
PubChem CID3066106
Molecular FormulaC19H16ClNO
Molecular Weight309.80 g/mol
Exact Mass309.09
IUPAC Name3-[[4-(2-chlorophenyl)phenyl]methoxymethyl]pyridine
SMILESClc1ccccc1-c1ccc(COCc2cccnc2)cc1
InChIInChI=1S/C19H16ClNO/c20-19-6-2-1-5-18(19)17-9-7-15(8-10-17)13-22-14-16-4-3-11-21-12-16/h1-12H,13-14H2
InChIKeyUUBWIYAWFAKHEH-UHFFFAOYSA-N
XLogP5.12
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.80
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Parinol
CID 28768
(4-Chloro-phenyl)-(2-chloro-phenyl)-pyridin-3-yl-methanol: (Hydrochloride)
CID 18960776
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CID 224943
(E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)pyridin-1-ium-4-yl]methanimine bromide
CID 10050813
4-[(2,6-Dichloro-benzyloxyimino)-methyl]-1-(3-phenyl-propyl)-pyridinium
CID 10050814
(4-Chloro-phenyl)-pyridin-3-yl-p-tolyl-methanol: (Hydrochloride)
CID 44356699
(4-Chlorophenyl)-[2-fluoro-4-(trifluoromethyl)phenyl]-pyridin-3-ylmethanol
CID 56662415
(4-Chlorophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
CID 56665730
(4-Chlorophenyl)-(3-fluorophenyl)-pyridin-3-ylmethanol
CID 56668900
(4-Chlorophenyl)-(2-fluorophenyl)-pyridin-3-ylmethanol
CID 56669183
4-[(4-Chlorophenyl)-hydroxy-pyridin-3-ylmethyl]benzonitrile
CID 56669188
(4-Chlorophenyl)-(2-methylphenyl)-pyridin-3-ylmethanol
CID 56672766

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-chlorophenyl)phenyl]methoxymethyl]pyridine?
The IUPAC name of 3-[[4-(2-chlorophenyl)phenyl]methoxymethyl]pyridine (CID 3066106) is 3-[[4-(2-chlorophenyl)phenyl]methoxymethyl]pyridine.
What is the SMILES notation for 3-[[4-(2-chlorophenyl)phenyl]methoxymethyl]pyridine?
The canonical SMILES for 3-[[4-(2-chlorophenyl)phenyl]methoxymethyl]pyridine is Clc1ccccc1-c1ccc(COCc2cccnc2)cc1.
What is the InChIKey of 3-[[4-(2-chlorophenyl)phenyl]methoxymethyl]pyridine?
The InChIKey is UUBWIYAWFAKHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO/c20-19-6-2-1-5-18(19)17-9-7-15(8-10-17)13-22-14-16-4-3-11-21-12-16/h1-12H,13-14H2.
What are the key properties of 3-[[4-(2-chlorophenyl)phenyl]methoxymethyl]pyridine?
3-[[4-(2-chlorophenyl)phenyl]methoxymethyl]pyridine has a molecular weight of 309.80 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-chlorophenyl)phenyl]methoxymethyl]pyridine is sourced from PubChem (CID 3066106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).