2-chloro-4-[[4-(2-fluoropropan-2-yl)phenoxy]methyl]pyridine

C15H15ClFNO — CID 170054292

IUPAC2-chloro-4-[[4-(2-fluoropropan-2-yl)phenoxy]methyl]pyridine
SMILESCC(C)(F)c1ccc(OCc2ccnc(Cl)c2)cc1
InChIInChI=1S/C15H15ClFNO/c1-15(2,17)12-3-5-13(6-4-12)19-10-11-7-8-18-14(16)9-11/h3-9H,10H2,1-2H3
InChIKeyZQPGZNWUPRWIOV-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.52
Rot. Bonds4

About 2-chloro-4-[[4-(2-fluoropropan-2-yl)phenoxy]methyl]pyridine

2-chloro-4-[[4-(2-fluoropropan-2-yl)phenoxy]methyl]pyridine (PubChem CID 170054292) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 2-chloro-4-[[4-(2-fluoropropan-2-yl)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[[4-(2-fluoropropan-2-yl)phenoxy]methyl]pyridine
PubChem CID170054292
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name2-chloro-4-[[4-(2-fluoropropan-2-yl)phenoxy]methyl]pyridine
SMILESCC(C)(F)c1ccc(OCc2ccnc(Cl)c2)cc1
InChIInChI=1S/C15H15ClFNO/c1-15(2,17)12-3-5-13(6-4-12)19-10-11-7-8-18-14(16)9-11/h3-9H,10H2,1-2H3
InChIKeyZQPGZNWUPRWIOV-UHFFFAOYSA-N
XLogP4.52
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.52
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

2-chloro-4-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine
CID 115696982
2-chloro-4-[(4-fluorophenoxy)methyl]pyridine
CID 62299799
2-chloro-4-(2,2,2-trifluoroethoxymethyl)pyridine
CID 62470096
2-chloro-4-(3,3-dimethylbutoxymethyl)pyridine
CID 66231568
4-[(4-tert-butylphenyl)sulfanylmethyl]-2-chloropyridine
CID 63537885
4-[(2-bromo-4-methoxyphenoxy)methyl]-2-chloropyridine
CID 104704629
2-chloro-4-[(2,6-difluorophenoxy)methyl]pyridine
CID 78987592
5-[(4-tert-butylphenoxy)methyl]-2-chloropyridine
CID 28537518
2-chloro-4-(4,4,4-trifluorobutoxymethyl)pyridine
CID 82788913
[3-[(2-chloro-4-pyridinyl)methoxy]phenyl]methanol
CID 62472318
4-(4-tert-butylphenoxy)-2-chloropyridine
CID 63777784
[4-[(2-chloro-4-pyridinyl)methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 4120561

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[4-(2-fluoropropan-2-yl)phenoxy]methyl]pyridine?
The IUPAC name of 2-chloro-4-[[4-(2-fluoropropan-2-yl)phenoxy]methyl]pyridine (CID 170054292) is 2-chloro-4-[[4-(2-fluoropropan-2-yl)phenoxy]methyl]pyridine.
What is the SMILES notation for 2-chloro-4-[[4-(2-fluoropropan-2-yl)phenoxy]methyl]pyridine?
The canonical SMILES for 2-chloro-4-[[4-(2-fluoropropan-2-yl)phenoxy]methyl]pyridine is CC(C)(F)c1ccc(OCc2ccnc(Cl)c2)cc1.
What is the InChIKey of 2-chloro-4-[[4-(2-fluoropropan-2-yl)phenoxy]methyl]pyridine?
The InChIKey is ZQPGZNWUPRWIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-15(2,17)12-3-5-13(6-4-12)19-10-11-7-8-18-14(16)9-11/h3-9H,10H2,1-2H3.
What are the key properties of 2-chloro-4-[[4-(2-fluoropropan-2-yl)phenoxy]methyl]pyridine?
2-chloro-4-[[4-(2-fluoropropan-2-yl)phenoxy]methyl]pyridine has a molecular weight of 279.74 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[4-(2-fluoropropan-2-yl)phenoxy]methyl]pyridine is sourced from PubChem (CID 170054292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).