2-fluoro-4-[[5-[(2-fluoro-4-pyridinyl)methyl]inden-5-yl]methyl]pyridine

C21H16F2N2 — CID 54563568

IUPAC2-fluoro-4-[[5-[(2-fluoro-4-pyridinyl)methyl]inden-5-yl]methyl]pyridine
SMILESFc1cc(CC2(Cc3ccnc(F)c3)C=CC3=CC=CC3=C2)ccn1
InChIInChI=1S/C21H16F2N2/c22-19-10-15(5-8-24-19)12-21(13-16-6-9-25-20(23)11-16)7-4-17-2-1-3-18(17)14-21/h1-11,14H,12-13H2
InChIKeyZSGPDKAHIRVJKO-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.52
Rot. Bonds4

About 2-fluoro-4-[[5-[(2-fluoro-4-pyridinyl)methyl]inden-5-yl]methyl]pyridine

2-fluoro-4-[[5-[(2-fluoro-4-pyridinyl)methyl]inden-5-yl]methyl]pyridine (PubChem CID 54563568) has the molecular formula C21H16F2N2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-fluoro-4-[[5-[(2-fluoro-4-pyridinyl)methyl]inden-5-yl]methyl]pyridine.

Molecular Properties

Compound Name2-fluoro-4-[[5-[(2-fluoro-4-pyridinyl)methyl]inden-5-yl]methyl]pyridine
PubChem CID54563568
Molecular FormulaC21H16F2N2
Molecular Weight334.37 g/mol
Exact Mass334.13
IUPAC Name2-fluoro-4-[[5-[(2-fluoro-4-pyridinyl)methyl]inden-5-yl]methyl]pyridine
SMILESFc1cc(CC2(Cc3ccnc(F)c3)C=CC3=CC=CC3=C2)ccn1
InChIInChI=1S/C21H16F2N2/c22-19-10-15(5-8-24-19)12-21(13-16-6-9-25-20(23)11-16)7-4-17-2-1-3-18(17)14-21/h1-11,14H,12-13H2
InChIKeyZSGPDKAHIRVJKO-UHFFFAOYSA-N
XLogP4.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
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-fluoro-4-[[9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine
CID 19606110
4-(bromomethyl)-2-fluoropyridine;hydrochloride
CID 23070684
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
5-[(2-fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)indeno[1,2-b]pyridine
CID 10546928
(2-fluoro-4-pyridinyl)methyl hypochlorite
CID 89126285
9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-1-amine
CID 18921574
ethane;2-fluoro-4-(methoxymethyl)pyridine
CID 169168193
10,10-bis[2-(2-fluoro-4-pyridinyl)ethyl]anthracen-9-one
CID 70266316
5,5-bis[(2-fluoro-4-pyridinyl)methyl]-7-iodoindeno[1,2-b]pyridine
CID 19606096
2-[9-[(2-fluoro-4-pyridinyl)methyl]-9-(pyridin-4-ylmethyl)xanthen-4-yl]-1H-azepine
CID 174450136
2-fluoro-4-(2-methylsulfanyloxyethyl)pyridine
CID 143840195
1-(4-fluorophenyl)-2-(2-fluoro-4-pyridinyl)ethanol
CID 68911299

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[5-[(2-fluoro-4-pyridinyl)methyl]inden-5-yl]methyl]pyridine?
The IUPAC name of 2-fluoro-4-[[5-[(2-fluoro-4-pyridinyl)methyl]inden-5-yl]methyl]pyridine (CID 54563568) is 2-fluoro-4-[[5-[(2-fluoro-4-pyridinyl)methyl]inden-5-yl]methyl]pyridine.
What is the SMILES notation for 2-fluoro-4-[[5-[(2-fluoro-4-pyridinyl)methyl]inden-5-yl]methyl]pyridine?
The canonical SMILES for 2-fluoro-4-[[5-[(2-fluoro-4-pyridinyl)methyl]inden-5-yl]methyl]pyridine is Fc1cc(CC2(Cc3ccnc(F)c3)C=CC3=CC=CC3=C2)ccn1.
What is the InChIKey of 2-fluoro-4-[[5-[(2-fluoro-4-pyridinyl)methyl]inden-5-yl]methyl]pyridine?
The InChIKey is ZSGPDKAHIRVJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2/c22-19-10-15(5-8-24-19)12-21(13-16-6-9-25-20(23)11-16)7-4-17-2-1-3-18(17)14-21/h1-11,14H,12-13H2.
What are the key properties of 2-fluoro-4-[[5-[(2-fluoro-4-pyridinyl)methyl]inden-5-yl]methyl]pyridine?
2-fluoro-4-[[5-[(2-fluoro-4-pyridinyl)methyl]inden-5-yl]methyl]pyridine has a molecular weight of 334.37 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-fluoro-4-[[5-[(2-fluoro-4-pyridinyl)methyl]inden-5-yl]methyl]pyridine is sourced from PubChem (CID 54563568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).