1-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylic acid

C10H10FN3O2 — CID 142476102

IUPAC1-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESO=C(O)C1=CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C10H10FN3O2/c11-8-5-12-10(13-6-8)14-3-1-7(2-4-14)9(15)16/h1,5-6H,2-4H2,(H,15,16)
InChIKeyIPXNRFRQCOHRNJ-UHFFFAOYSA-N
MW223.21 g/mol
LogP0.84
Rot. Bonds2

About 1-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylic acid

1-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylic acid (PubChem CID 142476102) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
PubChem CID142476102
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Name1-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESO=C(O)C1=CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C10H10FN3O2/c11-8-5-12-10(13-6-8)14-3-1-7(2-4-14)9(15)16/h1,5-6H,2-4H2,(H,15,16)
InChIKeyIPXNRFRQCOHRNJ-UHFFFAOYSA-N
XLogP0.84
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylic acid (CID 142476102) is 1-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylic acid.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylic acid is O=C(O)C1=CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The InChIKey is IPXNRFRQCOHRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2/c11-8-5-12-10(13-6-8)14-3-1-7(2-4-14)9(15)16/h1,5-6H,2-4H2,(H,15,16).
What are the key properties of 1-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
1-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylic acid has a molecular weight of 223.21 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylic acid is sourced from PubChem (CID 142476102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).