2-chloro-5-[[6-(2,4-difluorophenyl)-3-pyridinyl]methyl]pyridine

C17H11ClF2N2 — CID 123713485

IUPAC2-chloro-5-[[6-(2,4-difluorophenyl)-3-pyridinyl]methyl]pyridine
SMILESFc1ccc(-c2ccc(Cc3ccc(Cl)nc3)cn2)c(F)c1
InChIInChI=1S/C17H11ClF2N2/c18-17-6-2-12(10-22-17)7-11-1-5-16(21-9-11)14-4-3-13(19)8-15(14)20/h1-6,8-10H,7H2
InChIKeyGITSXHIYHQXLNF-UHFFFAOYSA-N
MW316.74 g/mol
LogP4.67
Rot. Bonds3

About 2-chloro-5-[[6-(2,4-difluorophenyl)-3-pyridinyl]methyl]pyridine

2-chloro-5-[[6-(2,4-difluorophenyl)-3-pyridinyl]methyl]pyridine (PubChem CID 123713485) has the molecular formula C17H11ClF2N2 and a molecular weight of 316.74 g/mol. Its IUPAC name is 2-chloro-5-[[6-(2,4-difluorophenyl)-3-pyridinyl]methyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[[6-(2,4-difluorophenyl)-3-pyridinyl]methyl]pyridine
PubChem CID123713485
Molecular FormulaC17H11ClF2N2
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC Name2-chloro-5-[[6-(2,4-difluorophenyl)-3-pyridinyl]methyl]pyridine
SMILESFc1ccc(-c2ccc(Cc3ccc(Cl)nc3)cn2)c(F)c1
InChIInChI=1S/C17H11ClF2N2/c18-17-6-2-12(10-22-17)7-11-1-5-16(21-9-11)14-4-3-13(19)8-15(14)20/h1-6,8-10H,7H2
InChIKeyGITSXHIYHQXLNF-UHFFFAOYSA-N
XLogP4.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 54.67
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

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2,3'-Bipyridine
CID 11389
4'-Chloro-2,2':6',2''-terpyridine
CID 667748
2,4'-Bipyridine
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(-)-Chlorpheniramine
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4-Chloroquinoline
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Anabasamine hydrochloride
CID 438950

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[6-(2,4-difluorophenyl)-3-pyridinyl]methyl]pyridine?
The IUPAC name of 2-chloro-5-[[6-(2,4-difluorophenyl)-3-pyridinyl]methyl]pyridine (CID 123713485) is 2-chloro-5-[[6-(2,4-difluorophenyl)-3-pyridinyl]methyl]pyridine.
What is the SMILES notation for 2-chloro-5-[[6-(2,4-difluorophenyl)-3-pyridinyl]methyl]pyridine?
The canonical SMILES for 2-chloro-5-[[6-(2,4-difluorophenyl)-3-pyridinyl]methyl]pyridine is Fc1ccc(-c2ccc(Cc3ccc(Cl)nc3)cn2)c(F)c1.
What is the InChIKey of 2-chloro-5-[[6-(2,4-difluorophenyl)-3-pyridinyl]methyl]pyridine?
The InChIKey is GITSXHIYHQXLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N2/c18-17-6-2-12(10-22-17)7-11-1-5-16(21-9-11)14-4-3-13(19)8-15(14)20/h1-6,8-10H,7H2.
What are the key properties of 2-chloro-5-[[6-(2,4-difluorophenyl)-3-pyridinyl]methyl]pyridine?
2-chloro-5-[[6-(2,4-difluorophenyl)-3-pyridinyl]methyl]pyridine has a molecular weight of 316.74 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[6-(2,4-difluorophenyl)-3-pyridinyl]methyl]pyridine is sourced from PubChem (CID 123713485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).