4-(chloromethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)-3-fluoropyridine

C15H13ClFNO — CID 105383825

IUPAC4-(chloromethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)-3-fluoropyridine
SMILESFc1c(CCl)ccnc1Oc1ccc2c(c1)CCC2
InChIInChI=1S/C15H13ClFNO/c16-9-12-6-7-18-15(14(12)17)19-13-5-4-10-2-1-3-11(10)8-13/h4-8H,1-3,9H2
InChIKeyGOVDUUDGFFYPIV-UHFFFAOYSA-N
MW277.73 g/mol
LogP4.24
Rot. Bonds3

About 4-(chloromethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)-3-fluoropyridine

4-(chloromethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)-3-fluoropyridine (PubChem CID 105383825) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)-3-fluoropyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)-3-fluoropyridine
PubChem CID105383825
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name4-(chloromethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)-3-fluoropyridine
SMILESFc1c(CCl)ccnc1Oc1ccc2c(c1)CCC2
InChIInChI=1S/C15H13ClFNO/c16-9-12-6-7-18-15(14(12)17)19-13-5-4-10-2-1-3-11(10)8-13/h4-8H,1-3,9H2
InChIKeyGOVDUUDGFFYPIV-UHFFFAOYSA-N
XLogP4.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-3-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine
CID 105383893
4-(chloromethyl)-3-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
CID 102747282
[2-(2,3-dihydro-1H-inden-5-yloxy)-3-pyridinyl]methanol
CID 61257544
4-(chloromethyl)-3-fluoro-2-[4-(2-methoxyethyl)phenoxy]pyridine
CID 105383838
4-(2,3-dihydro-1H-inden-5-yloxy)pyridine
CID 57051000
4-chloro-5-(chloromethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidine
CID 107088182
4-(chloromethyl)-2-cyclohexyloxy-3-fluoropyridine
CID 105383733
3-chloro-2-(2,3-dihydro-1H-inden-5-yloxy)pyridine-4-carboximidamide
CID 107060519
N-[[2-(3,4-dichlorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105391381
2-(chloromethyl)-6-(2,3-dihydro-1H-inden-5-yloxy)pyridine
CID 62240738
3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazine-2-carbonitrile
CID 62684225
2,5-dichloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidine
CID 79633379

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)-3-fluoropyridine?
The IUPAC name of 4-(chloromethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)-3-fluoropyridine (CID 105383825) is 4-(chloromethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)-3-fluoropyridine.
What is the SMILES notation for 4-(chloromethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)-3-fluoropyridine?
The canonical SMILES for 4-(chloromethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)-3-fluoropyridine is Fc1c(CCl)ccnc1Oc1ccc2c(c1)CCC2.
What is the InChIKey of 4-(chloromethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)-3-fluoropyridine?
The InChIKey is GOVDUUDGFFYPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c16-9-12-6-7-18-15(14(12)17)19-13-5-4-10-2-1-3-11(10)8-13/h4-8H,1-3,9H2.
What are the key properties of 4-(chloromethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)-3-fluoropyridine?
4-(chloromethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)-3-fluoropyridine has a molecular weight of 277.73 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)-3-fluoropyridine is sourced from PubChem (CID 105383825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).