2-chloro-5-[[2-chloro-4-[(3,5-difluorophenyl)methyl]phenoxy]methyl]pyridine

C19H13Cl2F2NO — CID 19875988

IUPAC2-chloro-5-[[2-chloro-4-[(3,5-difluorophenyl)methyl]phenoxy]methyl]pyridine
SMILESFc1cc(F)cc(Cc2ccc(OCc3ccc(Cl)nc3)c(Cl)c2)c1
InChIInChI=1S/C19H13Cl2F2NO/c20-17-8-12(5-14-6-15(22)9-16(23)7-14)1-3-18(17)25-11-13-2-4-19(21)24-10-13/h1-4,6-10H,5,11H2
InChIKeyXDHXPEFSFBSWNB-UHFFFAOYSA-N
MW380.22 g/mol
LogP5.84
Rot. Bonds5

About 2-chloro-5-[[2-chloro-4-[(3,5-difluorophenyl)methyl]phenoxy]methyl]pyridine

2-chloro-5-[[2-chloro-4-[(3,5-difluorophenyl)methyl]phenoxy]methyl]pyridine (PubChem CID 19875988) has the molecular formula C19H13Cl2F2NO and a molecular weight of 380.22 g/mol. Its IUPAC name is 2-chloro-5-[[2-chloro-4-[(3,5-difluorophenyl)methyl]phenoxy]methyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[[2-chloro-4-[(3,5-difluorophenyl)methyl]phenoxy]methyl]pyridine
PubChem CID19875988
Molecular FormulaC19H13Cl2F2NO
Molecular Weight380.22 g/mol
Exact Mass379.03
IUPAC Name2-chloro-5-[[2-chloro-4-[(3,5-difluorophenyl)methyl]phenoxy]methyl]pyridine
SMILESFc1cc(F)cc(Cc2ccc(OCc3ccc(Cl)nc3)c(Cl)c2)c1
InChIInChI=1S/C19H13Cl2F2NO/c20-17-8-12(5-14-6-15(22)9-16(23)7-14)1-3-18(17)25-11-13-2-4-19(21)24-10-13/h1-4,6-10H,5,11H2
InChIKeyXDHXPEFSFBSWNB-UHFFFAOYSA-N
XLogP5.84
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.22
LogP ≤ 55.84
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

3-(3-(3-Chlorobenzyloxy)-5-methylphenyl)pyridine
CID 44409820
(4-Chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
CID 56679074
5-(4-Chloro-phenyl)-2-[3-chloro-4-(2-pyrrolidin-1-yl-ethoxy)-phenylethynyl]-pyridine
CID 10388351
2-(2-Chloro-6-fluorophenoxy)-3-(piperidin-4-yl)pyridine
CID 44134038
4-[2-(4-Benzylphenoxy)ethyl]pyridine
CID 44818625
2-(4-methylphenoxy)nicotinaldehyde O-(3,4-dichlorobenzyl)oxime
CID 9655303
4-(6-Chloro-2,2-dimethylchromen-4-yl)pyridine;hydrochloride
CID 44523133
Rac-3-((2,5-dichlorophenoxy)(piperidin-4-yl)methyl)pyridine
CID 45267156
3-((2,3-dichlorophenoxy)((S)-piperidin-3-yl)methyl)pyridine
CID 45268914
Rac-3-((2,4-dichlorophenoxy)(piperidin-4-yl)methyl)pyridine
CID 45270570
3-((2,3-dichlorophenoxy)((R)-piperidin-3-yl)methyl)pyridine
CID 45270589
Rac-3-((2-chlorophenoxy)(piperidin-4-yl)methyl)pyridine
CID 45273132

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2-chloro-4-[(3,5-difluorophenyl)methyl]phenoxy]methyl]pyridine?
The IUPAC name of 2-chloro-5-[[2-chloro-4-[(3,5-difluorophenyl)methyl]phenoxy]methyl]pyridine (CID 19875988) is 2-chloro-5-[[2-chloro-4-[(3,5-difluorophenyl)methyl]phenoxy]methyl]pyridine.
What is the SMILES notation for 2-chloro-5-[[2-chloro-4-[(3,5-difluorophenyl)methyl]phenoxy]methyl]pyridine?
The canonical SMILES for 2-chloro-5-[[2-chloro-4-[(3,5-difluorophenyl)methyl]phenoxy]methyl]pyridine is Fc1cc(F)cc(Cc2ccc(OCc3ccc(Cl)nc3)c(Cl)c2)c1.
What is the InChIKey of 2-chloro-5-[[2-chloro-4-[(3,5-difluorophenyl)methyl]phenoxy]methyl]pyridine?
The InChIKey is XDHXPEFSFBSWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2F2NO/c20-17-8-12(5-14-6-15(22)9-16(23)7-14)1-3-18(17)25-11-13-2-4-19(21)24-10-13/h1-4,6-10H,5,11H2.
What are the key properties of 2-chloro-5-[[2-chloro-4-[(3,5-difluorophenyl)methyl]phenoxy]methyl]pyridine?
2-chloro-5-[[2-chloro-4-[(3,5-difluorophenyl)methyl]phenoxy]methyl]pyridine has a molecular weight of 380.22 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[2-chloro-4-[(3,5-difluorophenyl)methyl]phenoxy]methyl]pyridine is sourced from PubChem (CID 19875988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).