2-chloro-4-[(2,4-difluorophenoxy)methyl]pyridine

C12H8ClF2NO — CID 62045301

IUPAC2-chloro-4-[(2,4-difluorophenoxy)methyl]pyridine
SMILESFc1ccc(OCc2ccnc(Cl)c2)c(F)c1
InChIInChI=1S/C12H8ClF2NO/c13-12-5-8(3-4-16-12)7-17-11-2-1-9(14)6-10(11)15/h1-6H,7H2
InChIKeyFQZBCZUERADWMQ-UHFFFAOYSA-N
MW255.65 g/mol
LogP3.59
Rot. Bonds3

About 2-chloro-4-[(2,4-difluorophenoxy)methyl]pyridine

2-chloro-4-[(2,4-difluorophenoxy)methyl]pyridine (PubChem CID 62045301) has the molecular formula C12H8ClF2NO and a molecular weight of 255.65 g/mol. Its IUPAC name is 2-chloro-4-[(2,4-difluorophenoxy)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[(2,4-difluorophenoxy)methyl]pyridine
PubChem CID62045301
Molecular FormulaC12H8ClF2NO
Molecular Weight255.65 g/mol
Exact Mass255.03
IUPAC Name2-chloro-4-[(2,4-difluorophenoxy)methyl]pyridine
SMILESFc1ccc(OCc2ccnc(Cl)c2)c(F)c1
InChIInChI=1S/C12H8ClF2NO/c13-12-5-8(3-4-16-12)7-17-11-2-1-9(14)6-10(11)15/h1-6H,7H2
InChIKeyFQZBCZUERADWMQ-UHFFFAOYSA-N
XLogP3.59
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.65
LogP ≤ 53.59
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

4-[(4-bromo-2-fluorophenoxy)methyl]-2-chloropyridine
CID 55069584
4-[(2-chloro-4-pyridinyl)methoxy]-3-fluoroaniline
CID 141490423
4-[(2-bromo-5-fluorophenoxy)methyl]-2-chloropyridine
CID 81495867
4-[(2,4-difluorophenoxy)methyl]pyridin-2-amine
CID 62464402
2-chloro-4-[(4-fluorophenoxy)methyl]pyridine
CID 62299799
2-chloro-4-[(2,4-difluorophenyl)sulfanylmethyl]pyridine
CID 62045799
2-chloro-4-[(2,6-difluorophenoxy)methyl]pyridine
CID 78987592
2-[(2-chloro-4-pyridinyl)methoxy]aniline
CID 62469846
4-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine
CID 62465698
magnesium;2,4-difluoro-1-(phenylmethoxy)benzene;bromide
CID 91656518
2-chloro-4-[(4-chloronaphthalen-1-yl)oxymethyl]pyridine
CID 63480612
1-[(3-bromophenyl)methoxy]-2,4-difluorobenzene
CID 60731007

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2,4-difluorophenoxy)methyl]pyridine?
The IUPAC name of 2-chloro-4-[(2,4-difluorophenoxy)methyl]pyridine (CID 62045301) is 2-chloro-4-[(2,4-difluorophenoxy)methyl]pyridine.
What is the SMILES notation for 2-chloro-4-[(2,4-difluorophenoxy)methyl]pyridine?
The canonical SMILES for 2-chloro-4-[(2,4-difluorophenoxy)methyl]pyridine is Fc1ccc(OCc2ccnc(Cl)c2)c(F)c1.
What is the InChIKey of 2-chloro-4-[(2,4-difluorophenoxy)methyl]pyridine?
The InChIKey is FQZBCZUERADWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2NO/c13-12-5-8(3-4-16-12)7-17-11-2-1-9(14)6-10(11)15/h1-6H,7H2.
What are the key properties of 2-chloro-4-[(2,4-difluorophenoxy)methyl]pyridine?
2-chloro-4-[(2,4-difluorophenoxy)methyl]pyridine has a molecular weight of 255.65 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2,4-difluorophenoxy)methyl]pyridine is sourced from PubChem (CID 62045301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).