1-(5-bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid

C10H11BrFN3O2 — CID 66981272

IUPAC1-(5-bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid
SMILESO=C(O)C1(F)CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C10H11BrFN3O2/c11-7-5-13-9(14-6-7)15-3-1-10(12,2-4-15)8(16)17/h5-6H,1-4H2,(H,16,17)
InChIKeyHBTXDDQKKMASMN-UHFFFAOYSA-N
MW304.12 g/mol
LogP1.63
Rot. Bonds2

About 1-(5-bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid

1-(5-bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid (PubChem CID 66981272) has the molecular formula C10H11BrFN3O2 and a molecular weight of 304.12 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid
PubChem CID66981272
Molecular FormulaC10H11BrFN3O2
Molecular Weight304.12 g/mol
Exact Mass303.00
IUPAC Name1-(5-bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid
SMILESO=C(O)C1(F)CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C10H11BrFN3O2/c11-7-5-13-9(14-6-7)15-3-1-10(12,2-4-15)8(16)17/h5-6H,1-4H2,(H,16,17)
InChIKeyHBTXDDQKKMASMN-UHFFFAOYSA-N
XLogP1.63
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.12
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid?
The IUPAC name of 1-(5-bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid (CID 66981272) is 1-(5-bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid is O=C(O)C1(F)CCN(c2ncc(Br)cn2)CC1.
What is the InChIKey of 1-(5-bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid?
The InChIKey is HBTXDDQKKMASMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN3O2/c11-7-5-13-9(14-6-7)15-3-1-10(12,2-4-15)8(16)17/h5-6H,1-4H2,(H,16,17).
What are the key properties of 1-(5-bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid?
1-(5-bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid has a molecular weight of 304.12 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid is sourced from PubChem (CID 66981272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).