2-fluoro-4-[(2-phenyl-5H-inden-1-yl)methyl]pyridine

C21H16FN — CID 174424106

IUPAC2-fluoro-4-[(2-phenyl-5H-inden-1-yl)methyl]pyridine
SMILESFc1cc(CC2=C3C=CCC=C3C=C2c2ccccc2)ccn1
InChIInChI=1S/C21H16FN/c22-21-13-15(10-11-23-21)12-20-18-9-5-4-8-17(18)14-19(20)16-6-2-1-3-7-16/h1-3,5-11,13-14H,4,12H2
InChIKeyYTGOPHLPRMEJGE-UHFFFAOYSA-N
MW301.36 g/mol
LogP5.04
Rot. Bonds3

About 2-fluoro-4-[(2-phenyl-5H-inden-1-yl)methyl]pyridine

2-fluoro-4-[(2-phenyl-5H-inden-1-yl)methyl]pyridine (PubChem CID 174424106) has the molecular formula C21H16FN and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-fluoro-4-[(2-phenyl-5H-inden-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-fluoro-4-[(2-phenyl-5H-inden-1-yl)methyl]pyridine
PubChem CID174424106
Molecular FormulaC21H16FN
Molecular Weight301.36 g/mol
Exact Mass301.13
IUPAC Name2-fluoro-4-[(2-phenyl-5H-inden-1-yl)methyl]pyridine
SMILESFc1cc(CC2=C3C=CCC=C3C=C2c2ccccc2)ccn1
InChIInChI=1S/C21H16FN/c22-21-13-15(10-11-23-21)12-20-18-9-5-4-8-17(18)14-19(20)16-6-2-1-3-7-16/h1-3,5-11,13-14H,4,12H2
InChIKeyYTGOPHLPRMEJGE-UHFFFAOYSA-N
XLogP5.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.36
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-2-fluoropyridine;hydrochloride
CID 23070684
(2-fluoro-4-pyridinyl)methyl hypochlorite
CID 89126285
2-fluoro-4-[[9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine
CID 19606110
4-benzyl-2-(4-fluorophenyl)pyridine
CID 162708320
4-benzyl-2-(4-phenylphenyl)pyridine
CID 162707059
4-[(2-fluoro-4-pyridinyl)methyl]-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 67569582
2-fluoro-4-(2-methylsulfanyloxyethyl)pyridine
CID 143840195
3-phenyl-2,6-dihydro-1H-indole
CID 174710254
ethane;2-fluoro-4-(methoxymethyl)pyridine
CID 169168193
8,8-bis[(2-fluoro-4-pyridinyl)methyl]-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 19606097
2-fluoro-4-[[5-[(2-fluoro-4-pyridinyl)methyl]inden-5-yl]methyl]pyridine
CID 54563568
4-benzyl-2-[3-(4-fluorophenyl)phenyl]pyridine
CID 162709839

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(2-phenyl-5H-inden-1-yl)methyl]pyridine?
The IUPAC name of 2-fluoro-4-[(2-phenyl-5H-inden-1-yl)methyl]pyridine (CID 174424106) is 2-fluoro-4-[(2-phenyl-5H-inden-1-yl)methyl]pyridine.
What is the SMILES notation for 2-fluoro-4-[(2-phenyl-5H-inden-1-yl)methyl]pyridine?
The canonical SMILES for 2-fluoro-4-[(2-phenyl-5H-inden-1-yl)methyl]pyridine is Fc1cc(CC2=C3C=CCC=C3C=C2c2ccccc2)ccn1.
What is the InChIKey of 2-fluoro-4-[(2-phenyl-5H-inden-1-yl)methyl]pyridine?
The InChIKey is YTGOPHLPRMEJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN/c22-21-13-15(10-11-23-21)12-20-18-9-5-4-8-17(18)14-19(20)16-6-2-1-3-7-16/h1-3,5-11,13-14H,4,12H2.
What are the key properties of 2-fluoro-4-[(2-phenyl-5H-inden-1-yl)methyl]pyridine?
2-fluoro-4-[(2-phenyl-5H-inden-1-yl)methyl]pyridine has a molecular weight of 301.36 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(2-phenyl-5H-inden-1-yl)methyl]pyridine is sourced from PubChem (CID 174424106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).