1-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid

C14H14ClF2N3O2 — CID 166267923

IUPAC1-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid
SMILESO=C(O)C1CN(Cc2cnc3ccc(Cl)cn23)CC(F)(F)C1
InChIInChI=1S/C14H14ClF2N3O2/c15-10-1-2-12-18-4-11(20(12)6-10)7-19-5-9(13(21)22)3-14(16,17)8-19/h1-2,4,6,9H,3,5,7-8H2,(H,21,22)
InChIKeyQBTCIXNLRBXNQX-UHFFFAOYSA-N
MW329.73 g/mol
LogP2.53
Rot. Bonds3

About 1-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid

1-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid (PubChem CID 166267923) has the molecular formula C14H14ClF2N3O2 and a molecular weight of 329.73 g/mol. Its IUPAC name is 1-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid
PubChem CID166267923
Molecular FormulaC14H14ClF2N3O2
Molecular Weight329.73 g/mol
Exact Mass329.07
IUPAC Name1-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid
SMILESO=C(O)C1CN(Cc2cnc3ccc(Cl)cn23)CC(F)(F)C1
InChIInChI=1S/C14H14ClF2N3O2/c15-10-1-2-12-18-4-11(20(12)6-10)7-19-5-9(13(21)22)3-14(16,17)8-19/h1-2,4,6,9H,3,5,7-8H2,(H,21,22)
InChIKeyQBTCIXNLRBXNQX-UHFFFAOYSA-N
XLogP2.53
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.73
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid?
The IUPAC name of 1-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid (CID 166267923) is 1-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid is O=C(O)C1CN(Cc2cnc3ccc(Cl)cn23)CC(F)(F)C1.
What is the InChIKey of 1-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid?
The InChIKey is QBTCIXNLRBXNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2N3O2/c15-10-1-2-12-18-4-11(20(12)6-10)7-19-5-9(13(21)22)3-14(16,17)8-19/h1-2,4,6,9H,3,5,7-8H2,(H,21,22).
What are the key properties of 1-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid?
1-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid has a molecular weight of 329.73 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-5,5-difluoropiperidine-3-carboxylic acid is sourced from PubChem (CID 166267923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).