5-bromo-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid

C13H10BrFN2O2 — CID 62000351

IUPAC5-bromo-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(Br)cnc1NCc1ccc(F)cc1
InChIInChI=1S/C13H10BrFN2O2/c14-9-5-11(13(18)19)12(17-7-9)16-6-8-1-3-10(15)4-2-8/h1-5,7H,6H2,(H,16,17)(H,18,19)
InChIKeyXFPOKJBBWKDKDD-UHFFFAOYSA-N
MW325.14 g/mol
LogP3.29
Rot. Bonds4

About 5-bromo-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid

5-bromo-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid (PubChem CID 62000351) has the molecular formula C13H10BrFN2O2 and a molecular weight of 325.14 g/mol. Its IUPAC name is 5-bromo-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid
PubChem CID62000351
Molecular FormulaC13H10BrFN2O2
Molecular Weight325.14 g/mol
Exact Mass323.99
IUPAC Name5-bromo-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(Br)cnc1NCc1ccc(F)cc1
InChIInChI=1S/C13H10BrFN2O2/c14-9-5-11(13(18)19)12(17-7-9)16-6-8-1-3-10(15)4-2-8/h1-5,7H,6H2,(H,16,17)(H,18,19)
InChIKeyXFPOKJBBWKDKDD-UHFFFAOYSA-N
XLogP3.29
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.14
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carboxylic acid
CID 62524581
5-bromo-2-(3-phenylpropylamino)pyridine-3-carboxylic acid
CID 63537491
3-[(4-fluorophenyl)methylamino]-1H-pyrazole-5-carboxylic acid
CID 19624681
5-amino-2-(benzylamino)pyridine-3-carboxylic acid
CID 82477976
5-bromo-2-(ethylamino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 62167609
5-bromo-2-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid
CID 83077979
5-bromo-2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 104762194
5-bromo-2-[2-(dimethylamino)propylamino]pyridine-3-carboxylic acid
CID 62000794
5-bromo-2-(4-methylpentylamino)pyridine-3-carboxylic acid
CID 63537700
5-bromo-2-(3-hydroxybutylamino)pyridine-3-carboxylic acid
CID 64912935
5-[(4-fluorophenyl)methylamino]-6-propan-2-ylpyrazine-2-carboxylic acid
CID 177322894
4-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 81233465

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid (CID 62000351) is 5-bromo-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid is O=C(O)c1cc(Br)cnc1NCc1ccc(F)cc1.
What is the InChIKey of 5-bromo-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is XFPOKJBBWKDKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O2/c14-9-5-11(13(18)19)12(17-7-9)16-6-8-1-3-10(15)4-2-8/h1-5,7H,6H2,(H,16,17)(H,18,19).
What are the key properties of 5-bromo-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid?
5-bromo-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 325.14 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 62000351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).