[3-amino-4-chloro-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]azanide

C12H8ClF3N3- — CID 159694098

IUPAC[3-amino-4-chloro-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]azanide
SMILES[NH-]c1nc(-c2ccccc2C(F)(F)F)cc(Cl)c1N
InChIInChI=1S/C12H8ClF3N3/c13-8-5-9(19-11(18)10(8)17)6-3-1-2-4-7(6)12(14,15)16/h1-5H,17H2,(H-,18,19)/q-1
InChIKeyMWUARLHFGCVFCA-UHFFFAOYSA-N
MW286.66 g/mol
LogP4.69
Rot. Bonds1

About [3-amino-4-chloro-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]azanide

[3-amino-4-chloro-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]azanide (PubChem CID 159694098) has the molecular formula C12H8ClF3N3- and a molecular weight of 286.66 g/mol. Its IUPAC name is [3-amino-4-chloro-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]azanide.

Molecular Properties

Compound Name[3-amino-4-chloro-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]azanide
PubChem CID159694098
Molecular FormulaC12H8ClF3N3-
Molecular Weight286.66 g/mol
Exact Mass286.04
IUPAC Name[3-amino-4-chloro-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]azanide
SMILES[NH-]c1nc(-c2ccccc2C(F)(F)F)cc(Cl)c1N
InChIInChI=1S/C12H8ClF3N3/c13-8-5-9(19-11(18)10(8)17)6-3-1-2-4-7(6)12(14,15)16/h1-5H,17H2,(H-,18,19)/q-1
InChIKeyMWUARLHFGCVFCA-UHFFFAOYSA-N
XLogP4.69
TPSA62.71 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.66
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-amino-4-chloro-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]azanide?
The IUPAC name of [3-amino-4-chloro-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]azanide (CID 159694098) is [3-amino-4-chloro-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]azanide.
What is the SMILES notation for [3-amino-4-chloro-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]azanide?
The canonical SMILES for [3-amino-4-chloro-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]azanide is [NH-]c1nc(-c2ccccc2C(F)(F)F)cc(Cl)c1N.
What is the InChIKey of [3-amino-4-chloro-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]azanide?
The InChIKey is MWUARLHFGCVFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N3/c13-8-5-9(19-11(18)10(8)17)6-3-1-2-4-7(6)12(14,15)16/h1-5H,17H2,(H-,18,19)/q-1.
What are the key properties of [3-amino-4-chloro-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]azanide?
[3-amino-4-chloro-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]azanide has a molecular weight of 286.66 g/mol, XLogP of 4.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-chloro-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]azanide is sourced from PubChem (CID 159694098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).