5-fluoro-1-[(1-methylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridine

C10H14FN3 — CID 126787608

IUPAC5-fluoro-1-[(1-methylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridine
SMILESCn1ccnc1CN1CCC=C(F)C1
InChIInChI=1S/C10H14FN3/c1-13-6-4-12-10(13)8-14-5-2-3-9(11)7-14/h3-4,6H,2,5,7-8H2,1H3
InChIKeyMSZIEDAMWNUUBR-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.48
Rot. Bonds2

About 5-fluoro-1-[(1-methylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridine

5-fluoro-1-[(1-methylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridine (PubChem CID 126787608) has the molecular formula C10H14FN3 and a molecular weight of 195.24 g/mol. Its IUPAC name is 5-fluoro-1-[(1-methylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-fluoro-1-[(1-methylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridine
PubChem CID126787608
Molecular FormulaC10H14FN3
Molecular Weight195.24 g/mol
Exact Mass195.12
IUPAC Name5-fluoro-1-[(1-methylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridine
SMILESCn1ccnc1CN1CCC=C(F)C1
InChIInChI=1S/C10H14FN3/c1-13-6-4-12-10(13)8-14-5-2-3-9(11)7-14/h3-4,6H,2,5,7-8H2,1H3
InChIKeyMSZIEDAMWNUUBR-UHFFFAOYSA-N
XLogP1.48
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(1-methylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-fluoro-1-[(1-methylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridine (CID 126787608) is 5-fluoro-1-[(1-methylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-fluoro-1-[(1-methylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-fluoro-1-[(1-methylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridine is Cn1ccnc1CN1CCC=C(F)C1.
What is the InChIKey of 5-fluoro-1-[(1-methylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridine?
The InChIKey is MSZIEDAMWNUUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3/c1-13-6-4-12-10(13)8-14-5-2-3-9(11)7-14/h3-4,6H,2,5,7-8H2,1H3.
What are the key properties of 5-fluoro-1-[(1-methylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridine?
5-fluoro-1-[(1-methylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridine has a molecular weight of 195.24 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(1-methylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 126787608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).