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

CID 44409820
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CID 10388351
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CID 44134038
CID 44134038
CID 44818625
CID 44818625
CID 9655303
CID 9655303
CID 44523133
CID 44523133
CID 45267156
CID 45267156
CID 45268914
CID 45268914
CID 45270570
CID 45270570
CID 45270589
CID 45270589
CID 45273132
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).