6-[(4-chloro-2-fluorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid

C15H11ClFN3O2 — CID 139430325

IUPAC6-[(4-chloro-2-fluorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1c(NCc2ccc(Cl)cc2F)ccc2nccn12
InChIInChI=1S/C15H11ClFN3O2/c16-10-2-1-9(11(17)7-10)8-19-12-3-4-13-18-5-6-20(13)14(12)15(21)22/h1-7,19H,8H2,(H,21,22)
InChIKeyWRBDHCHLICOADT-UHFFFAOYSA-N
MW319.72 g/mol
LogP3.44
Rot. Bonds4

About 6-[(4-chloro-2-fluorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid

6-[(4-chloro-2-fluorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid (PubChem CID 139430325) has the molecular formula C15H11ClFN3O2 and a molecular weight of 319.72 g/mol. Its IUPAC name is 6-[(4-chloro-2-fluorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name6-[(4-chloro-2-fluorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid
PubChem CID139430325
Molecular FormulaC15H11ClFN3O2
Molecular Weight319.72 g/mol
Exact Mass319.05
IUPAC Name6-[(4-chloro-2-fluorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1c(NCc2ccc(Cl)cc2F)ccc2nccn12
InChIInChI=1S/C15H11ClFN3O2/c16-10-2-1-9(11(17)7-10)8-19-12-3-4-13-18-5-6-20(13)14(12)15(21)22/h1-7,19H,8H2,(H,21,22)
InChIKeyWRBDHCHLICOADT-UHFFFAOYSA-N
XLogP3.44
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.72
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-bromo-4-fluorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid;3-[(5-chloro-2-phosphanylphenyl)methylamino]-6-methylidene-1-[(Z)-prop-1-enyl]pyridine-2-carboxylic acid
CID 145416535
6-[2-(6-chloro-2-fluoro-3-methylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 159553520
N-[(4-chloro-2-fluorophenyl)methyl]-2-methylpyridin-3-amine
CID 114842458
6-[[(2E)-3-chloro-4-methyl-2-(1-phosphanylethenyl)penta-2,4-dienyl]amino]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 145416559
6-[(4-chloro-2-fluorophenyl)methyl]imidazo[1,2-b]pyridazine
CID 167388670
N-[(4-chloro-2-fluorophenyl)methyl]-6-fluoropyridin-3-amine
CID 102609742
4-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-2-fluoroaniline
CID 114841331
3-[(4-chloro-2-fluoroanilino)methyl]thiophene-2-carboxylic acid
CID 103247413
N-[(4-bromo-2-fluorophenyl)methyl]-2,4-dichloroaniline
CID 43242981
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]imidazo[1,2-a]pyridin-5-amine
CID 102625169
3-[(5-chloro-2-fluoroanilino)methyl]-4-fluorobenzoic acid
CID 107452535

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-2-fluorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid?
The IUPAC name of 6-[(4-chloro-2-fluorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid (CID 139430325) is 6-[(4-chloro-2-fluorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 6-[(4-chloro-2-fluorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid?
The canonical SMILES for 6-[(4-chloro-2-fluorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid is O=C(O)c1c(NCc2ccc(Cl)cc2F)ccc2nccn12.
What is the InChIKey of 6-[(4-chloro-2-fluorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid?
The InChIKey is WRBDHCHLICOADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O2/c16-10-2-1-9(11(17)7-10)8-19-12-3-4-13-18-5-6-20(13)14(12)15(21)22/h1-7,19H,8H2,(H,21,22).
What are the key properties of 6-[(4-chloro-2-fluorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid?
6-[(4-chloro-2-fluorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid has a molecular weight of 319.72 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chloro-2-fluorophenyl)methylamino]imidazo[1,2-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 139430325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).