(2-fluoro-3,4-dihydropyridin-5-yl)-(3-methylimidazol-4-yl)methanone

C10H10FN3O — CID 123935616

IUPAC(2-fluoro-3,4-dihydropyridin-5-yl)-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)C1=CN=C(F)CC1
InChIInChI=1S/C10H10FN3O/c1-14-6-12-5-8(14)10(15)7-2-3-9(11)13-4-7/h4-6H,2-3H2,1H3
InChIKeyMUGZIAUZSBLQMS-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.65
Rot. Bonds2

About (2-fluoro-3,4-dihydropyridin-5-yl)-(3-methylimidazol-4-yl)methanone

(2-fluoro-3,4-dihydropyridin-5-yl)-(3-methylimidazol-4-yl)methanone (PubChem CID 123935616) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is (2-fluoro-3,4-dihydropyridin-5-yl)-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-3,4-dihydropyridin-5-yl)-(3-methylimidazol-4-yl)methanone
PubChem CID123935616
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name(2-fluoro-3,4-dihydropyridin-5-yl)-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)C1=CN=C(F)CC1
InChIInChI=1S/C10H10FN3O/c1-14-6-12-5-8(14)10(15)7-2-3-9(11)13-4-7/h4-6H,2-3H2,1H3
InChIKeyMUGZIAUZSBLQMS-UHFFFAOYSA-N
XLogP1.65
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3,4-dihydropyridin-5-yl)-(3-methylimidazol-4-yl)methanone?
The IUPAC name of (2-fluoro-3,4-dihydropyridin-5-yl)-(3-methylimidazol-4-yl)methanone (CID 123935616) is (2-fluoro-3,4-dihydropyridin-5-yl)-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for (2-fluoro-3,4-dihydropyridin-5-yl)-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for (2-fluoro-3,4-dihydropyridin-5-yl)-(3-methylimidazol-4-yl)methanone is Cn1cncc1C(=O)C1=CN=C(F)CC1.
What is the InChIKey of (2-fluoro-3,4-dihydropyridin-5-yl)-(3-methylimidazol-4-yl)methanone?
The InChIKey is MUGZIAUZSBLQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c1-14-6-12-5-8(14)10(15)7-2-3-9(11)13-4-7/h4-6H,2-3H2,1H3.
What are the key properties of (2-fluoro-3,4-dihydropyridin-5-yl)-(3-methylimidazol-4-yl)methanone?
(2-fluoro-3,4-dihydropyridin-5-yl)-(3-methylimidazol-4-yl)methanone has a molecular weight of 207.21 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3,4-dihydropyridin-5-yl)-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 123935616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).