(6S)-4,6-bis(trifluoromethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

C8H7F6N3 — CID 10106599

IUPAC(6S)-4,6-bis(trifluoromethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESFC(F)(F)C1N[C@H](C(F)(F)F)Cc2[nH]cnc21
InChIInChI=1S/C8H7F6N3/c9-7(10,11)4-1-3-5(16-2-15-3)6(17-4)8(12,13)14/h2,4,6,17H,1H2,(H,15,16)/t4-,6?/m0/s1
InChIKeyMNGYNDQGWAMGCU-VKZKZBKNSA-N
MW259.15 g/mol
LogP2.09
Rot. Bonds

About (6S)-4,6-bis(trifluoromethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

(6S)-4,6-bis(trifluoromethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (PubChem CID 10106599) has the molecular formula C8H7F6N3 and a molecular weight of 259.15 g/mol. Its IUPAC name is (6S)-4,6-bis(trifluoromethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(6S)-4,6-bis(trifluoromethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
PubChem CID10106599
Molecular FormulaC8H7F6N3
Molecular Weight259.15 g/mol
Exact Mass259.05
IUPAC Name(6S)-4,6-bis(trifluoromethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESFC(F)(F)C1N[C@H](C(F)(F)F)Cc2[nH]cnc21
InChIInChI=1S/C8H7F6N3/c9-7(10,11)4-1-3-5(16-2-15-3)6(17-4)8(12,13)14/h2,4,6,17H,1H2,(H,15,16)/t4-,6?/m0/s1
InChIKeyMNGYNDQGWAMGCU-VKZKZBKNSA-N
XLogP2.09
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-4,6-bis(trifluoromethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of (6S)-4,6-bis(trifluoromethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CID 10106599) is (6S)-4,6-bis(trifluoromethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for (6S)-4,6-bis(trifluoromethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for (6S)-4,6-bis(trifluoromethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is FC(F)(F)C1N[C@H](C(F)(F)F)Cc2[nH]cnc21.
What is the InChIKey of (6S)-4,6-bis(trifluoromethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The InChIKey is MNGYNDQGWAMGCU-VKZKZBKNSA-N. The full InChI is InChI=1S/C8H7F6N3/c9-7(10,11)4-1-3-5(16-2-15-3)6(17-4)8(12,13)14/h2,4,6,17H,1H2,(H,15,16)/t4-,6?/m0/s1.
What are the key properties of (6S)-4,6-bis(trifluoromethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
(6S)-4,6-bis(trifluoromethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine has a molecular weight of 259.15 g/mol, XLogP of 2.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4,6-bis(trifluoromethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 10106599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).