3-chloro-6-[(3-fluorophenyl)methylamino]pyridine-2-carboxylic acid

C13H10ClFN2O2 — CID 28970934

IUPAC3-chloro-6-[(3-fluorophenyl)methylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(NCc2cccc(F)c2)ccc1Cl
InChIInChI=1S/C13H10ClFN2O2/c14-10-4-5-11(17-12(10)13(18)19)16-7-8-2-1-3-9(15)6-8/h1-6H,7H2,(H,16,17)(H,18,19)
InChIKeyTVUZICGCOPKSNT-UHFFFAOYSA-N
MW280.69 g/mol
LogP3.18
Rot. Bonds4

About 3-chloro-6-[(3-fluorophenyl)methylamino]pyridine-2-carboxylic acid

3-chloro-6-[(3-fluorophenyl)methylamino]pyridine-2-carboxylic acid (PubChem CID 28970934) has the molecular formula C13H10ClFN2O2 and a molecular weight of 280.69 g/mol. Its IUPAC name is 3-chloro-6-[(3-fluorophenyl)methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-[(3-fluorophenyl)methylamino]pyridine-2-carboxylic acid
PubChem CID28970934
Molecular FormulaC13H10ClFN2O2
Molecular Weight280.69 g/mol
Exact Mass280.04
IUPAC Name3-chloro-6-[(3-fluorophenyl)methylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(NCc2cccc(F)c2)ccc1Cl
InChIInChI=1S/C13H10ClFN2O2/c14-10-4-5-11(17-12(10)13(18)19)16-7-8-2-1-3-9(15)6-8/h1-6H,7H2,(H,16,17)(H,18,19)
InChIKeyTVUZICGCOPKSNT-UHFFFAOYSA-N
XLogP3.18
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.69
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(3-fluorophenyl)methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-[(3-fluorophenyl)methylamino]pyridine-2-carboxylic acid (CID 28970934) is 3-chloro-6-[(3-fluorophenyl)methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-[(3-fluorophenyl)methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-[(3-fluorophenyl)methylamino]pyridine-2-carboxylic acid is O=C(O)c1nc(NCc2cccc(F)c2)ccc1Cl.
What is the InChIKey of 3-chloro-6-[(3-fluorophenyl)methylamino]pyridine-2-carboxylic acid?
The InChIKey is TVUZICGCOPKSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O2/c14-10-4-5-11(17-12(10)13(18)19)16-7-8-2-1-3-9(15)6-8/h1-6H,7H2,(H,16,17)(H,18,19).
What are the key properties of 3-chloro-6-[(3-fluorophenyl)methylamino]pyridine-2-carboxylic acid?
3-chloro-6-[(3-fluorophenyl)methylamino]pyridine-2-carboxylic acid has a molecular weight of 280.69 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(3-fluorophenyl)methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 28970934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).