3-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridine-2,3-diamine

C12H11F3N4 — CID 28818162

IUPAC3-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridine-2,3-diamine
SMILESNc1ncc(C(F)(F)F)cc1NCc1cccnc1
InChIInChI=1S/C12H11F3N4/c13-12(14,15)9-4-10(11(16)19-7-9)18-6-8-2-1-3-17-5-8/h1-5,7,18H,6H2,(H2,16,19)
InChIKeyXURUTHGZHQNPOS-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.69
Rot. Bonds3

About 3-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridine-2,3-diamine

3-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridine-2,3-diamine (PubChem CID 28818162) has the molecular formula C12H11F3N4 and a molecular weight of 268.24 g/mol. Its IUPAC name is 3-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridine-2,3-diamine
PubChem CID28818162
Molecular FormulaC12H11F3N4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name3-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridine-2,3-diamine
SMILESNc1ncc(C(F)(F)F)cc1NCc1cccnc1
InChIInChI=1S/C12H11F3N4/c13-12(14,15)9-4-10(11(16)19-7-9)18-6-8-2-1-3-17-5-8/h1-5,7,18H,6H2,(H2,16,19)
InChIKeyXURUTHGZHQNPOS-UHFFFAOYSA-N
XLogP2.69
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 22184587
6-N-(pyridin-3-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22542878
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860825
2-N-methyl-6-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717377
N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 29039345
4-bromo-1-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 43115534
5-tert-butyl-2-methoxy-N-(pyridin-3-ylmethyl)aniline
CID 43425876
3-N-decyl-5-(trifluoromethyl)pyridine-2,3-diamine
CID 98622752
5-fluoro-2-(pyridin-3-ylmethylamino)benzenecarbothioamide
CID 63672661
2-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 75356077
4-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)aniline
CID 54943459
N-(2-pyridin-3-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60732313

Frequently Asked Questions

What is the IUPAC name of 3-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridine-2,3-diamine?
The IUPAC name of 3-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridine-2,3-diamine (CID 28818162) is 3-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridine-2,3-diamine.
What is the SMILES notation for 3-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridine-2,3-diamine?
The canonical SMILES for 3-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridine-2,3-diamine is Nc1ncc(C(F)(F)F)cc1NCc1cccnc1.
What is the InChIKey of 3-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridine-2,3-diamine?
The InChIKey is XURUTHGZHQNPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4/c13-12(14,15)9-4-10(11(16)19-7-9)18-6-8-2-1-3-17-5-8/h1-5,7,18H,6H2,(H2,16,19).
What are the key properties of 3-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridine-2,3-diamine?
3-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridine-2,3-diamine has a molecular weight of 268.24 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)pyridine-2,3-diamine is sourced from PubChem (CID 28818162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).