2-[(2-amino-3-pyridinyl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid

C13H11F3N4O2 — CID 176931362

IUPAC2-[(2-amino-3-pyridinyl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESNc1ncccc1CNc1nc(C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C13H11F3N4O2/c14-13(15,16)9-4-3-8(12(21)22)11(20-9)19-6-7-2-1-5-18-10(7)17/h1-5H,6H2,(H2,17,18)(H,19,20)(H,21,22)
InChIKeyUOJUIMAZSGUNOU-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.39
Rot. Bonds4

About 2-[(2-amino-3-pyridinyl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid

2-[(2-amino-3-pyridinyl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 176931362) has the molecular formula C13H11F3N4O2 and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-[(2-amino-3-pyridinyl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-amino-3-pyridinyl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID176931362
Molecular FormulaC13H11F3N4O2
Molecular Weight312.25 g/mol
Exact Mass312.08
IUPAC Name2-[(2-amino-3-pyridinyl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESNc1ncccc1CNc1nc(C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C13H11F3N4O2/c14-13(15,16)9-4-3-8(12(21)22)11(20-9)19-6-7-2-1-5-18-10(7)17/h1-5H,6H2,(H2,17,18)(H,19,20)(H,21,22)
InChIKeyUOJUIMAZSGUNOU-UHFFFAOYSA-N
XLogP2.39
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Niflumic Acid
CID 4488
Flunixin
CID 38081
Metanixin
CID 10466908
6-[(Propan-2-yl)amino]pyridine-3-carboxylic acid
CID 28400003
6-(Cyclopropylamino)pyridine-3-carboxylic acid
CID 28400038
2-(Benzylamino)nicotinic acid
CID 214596
6-(Acetylamino)nicotinic acid
CID 419744
6-(Phenylamino)nicotinic acid
CID 2771812
6-(Methylamino)pyridine-3-carboxylic acid
CID 22271415
6-(Cyclopentylamino)nicotinic acid
CID 1447952
6-(Ethylamino)pyridine-3-carboxylic acid
CID 11744994
6-(Prop-2-enylamino)pyridine-3-carboxylic acid
CID 28399894

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-pyridinyl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2-amino-3-pyridinyl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 176931362) is 2-[(2-amino-3-pyridinyl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2-amino-3-pyridinyl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2-amino-3-pyridinyl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid is Nc1ncccc1CNc1nc(C(F)(F)F)ccc1C(=O)O.
What is the InChIKey of 2-[(2-amino-3-pyridinyl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is UOJUIMAZSGUNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O2/c14-13(15,16)9-4-3-8(12(21)22)11(20-9)19-6-7-2-1-5-18-10(7)17/h1-5H,6H2,(H2,17,18)(H,19,20)(H,21,22).
What are the key properties of 2-[(2-amino-3-pyridinyl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid?
2-[(2-amino-3-pyridinyl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 312.25 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-pyridinyl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 176931362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).