6-[[(2-bromo-5-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid

C14H12BrFN2O2 — CID 106904521

IUPAC6-[[(2-bromo-5-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CNCc2cc(F)ccc2Br)n1
InChIInChI=1S/C14H12BrFN2O2/c15-12-5-4-10(16)6-9(12)7-17-8-11-2-1-3-13(18-11)14(19)20/h1-6,17H,7-8H2,(H,19,20)
InChIKeyCJUJOKFBJWZBNS-UHFFFAOYSA-N
MW339.16 g/mol
LogP2.97
Rot. Bonds5

About 6-[[(2-bromo-5-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid

6-[[(2-bromo-5-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid (PubChem CID 106904521) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is 6-[[(2-bromo-5-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[(2-bromo-5-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
PubChem CID106904521
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name6-[[(2-bromo-5-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CNCc2cc(F)ccc2Br)n1
InChIInChI=1S/C14H12BrFN2O2/c15-12-5-4-10(16)6-9(12)7-17-8-11-2-1-3-13(18-11)14(19)20/h1-6,17H,7-8H2,(H,19,20)
InChIKeyCJUJOKFBJWZBNS-UHFFFAOYSA-N
XLogP2.97
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[(2,4-difluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904640
6-[[(3-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904432
6-[[(3,4-difluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904564
6-[[(5-bromothiophen-2-yl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904513
6-[(2,5-dibromoanilino)methyl]pyridine-2-carboxylic acid
CID 106904582
6-[(2,4,6-tribromoanilino)methyl]pyridine-2-carboxylic acid
CID 106904439
6-[(2-bromoanilino)methyl]pyridine-2-carboxylic acid
CID 106904396
6-[(2-ethylbutylamino)methyl]pyridine-2-carboxylic acid
CID 106904993
6-[(2,4-dibromoanilino)methyl]pyridine-2-carboxylic acid
CID 106904620
6-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]pyridine-2-carboxylic acid
CID 106178072
6-[(2-ethoxypropylamino)methyl]pyridine-2-carboxylic acid
CID 106904972
6-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904607

Frequently Asked Questions

What is the IUPAC name of 6-[[(2-bromo-5-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[(2-bromo-5-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid (CID 106904521) is 6-[[(2-bromo-5-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[(2-bromo-5-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[(2-bromo-5-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(CNCc2cc(F)ccc2Br)n1.
What is the InChIKey of 6-[[(2-bromo-5-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid?
The InChIKey is CJUJOKFBJWZBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c15-12-5-4-10(16)6-9(12)7-17-8-11-2-1-3-13(18-11)14(19)20/h1-6,17H,7-8H2,(H,19,20).
What are the key properties of 6-[[(2-bromo-5-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid?
6-[[(2-bromo-5-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid has a molecular weight of 339.16 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2-bromo-5-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).