2-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine

C9H10FN3 — CID 138470258

IUPAC2-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine
SMILESFc1ncc(C2=CCNCC2)cn1
InChIInChI=1S/C9H10FN3/c10-9-12-5-8(6-13-9)7-1-3-11-4-2-7/h1,5-6,11H,2-4H2
InChIKeyRPVAKRCYHUMGEW-UHFFFAOYSA-N
MW179.20 g/mol
LogP0.99
Rot. Bonds1

About 2-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine

2-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine (PubChem CID 138470258) has the molecular formula C9H10FN3 and a molecular weight of 179.20 g/mol. Its IUPAC name is 2-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine.

Molecular Properties

Compound Name2-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine
PubChem CID138470258
Molecular FormulaC9H10FN3
Molecular Weight179.20 g/mol
Exact Mass179.09
IUPAC Name2-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine
SMILESFc1ncc(C2=CCNCC2)cn1
InChIInChI=1S/C9H10FN3/c10-9-12-5-8(6-13-9)7-1-3-11-4-2-7/h1,5-6,11H,2-4H2
InChIKeyRPVAKRCYHUMGEW-UHFFFAOYSA-N
XLogP0.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine?
The IUPAC name of 2-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine (CID 138470258) is 2-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine.
What is the SMILES notation for 2-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine?
The canonical SMILES for 2-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine is Fc1ncc(C2=CCNCC2)cn1.
What is the InChIKey of 2-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine?
The InChIKey is RPVAKRCYHUMGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3/c10-9-12-5-8(6-13-9)7-1-3-11-4-2-7/h1,5-6,11H,2-4H2.
What are the key properties of 2-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine?
2-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine has a molecular weight of 179.20 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidine is sourced from PubChem (CID 138470258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).