2-[8-chloro-2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine

C12H13ClF3N3 — CID 82030290

IUPAC2-[8-chloro-2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
SMILESCc1nc2c(Cl)cc(C(F)(F)F)cn2c1C(C)CN
InChIInChI=1S/C12H13ClF3N3/c1-6(4-17)10-7(2)18-11-9(13)3-8(5-19(10)11)12(14,15)16/h3,5-6H,4,17H2,1-2H3
InChIKeyFCRSSOSYTPTRQJ-UHFFFAOYSA-N
MW291.70 g/mol
LogP3.38
Rot. Bonds2

About 2-[8-chloro-2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine

2-[8-chloro-2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine (PubChem CID 82030290) has the molecular formula C12H13ClF3N3 and a molecular weight of 291.70 g/mol. Its IUPAC name is 2-[8-chloro-2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine.

Molecular Properties

Compound Name2-[8-chloro-2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
PubChem CID82030290
Molecular FormulaC12H13ClF3N3
Molecular Weight291.70 g/mol
Exact Mass291.08
IUPAC Name2-[8-chloro-2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
SMILESCc1nc2c(Cl)cc(C(F)(F)F)cn2c1C(C)CN
InChIInChI=1S/C12H13ClF3N3/c1-6(4-17)10-7(2)18-11-9(13)3-8(5-19(10)11)12(14,15)16/h3,5-6H,4,17H2,1-2H3
InChIKeyFCRSSOSYTPTRQJ-UHFFFAOYSA-N
XLogP3.38
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.70
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine
CID 62676097
2-(8-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)propan-1-amine
CID 83891491
[2-(4-tert-butylphenyl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199304
1-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
CID 82029153
1-bromo-8-chloro-3,6-bis(trifluoromethyl)imidazo[1,5-a]pyridine
CID 103596110
3-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxypropan-1-amine
CID 103157480
8-chloro-2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 51360733
[8-chloro-2-(2,4-dichlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199214
ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 163342934
(2R)-2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propanenitrile
CID 40813382
3,8-dichloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 151278989
8-chloro-3-propyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 142870114

Frequently Asked Questions

What is the IUPAC name of 2-[8-chloro-2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine?
The IUPAC name of 2-[8-chloro-2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine (CID 82030290) is 2-[8-chloro-2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine.
What is the SMILES notation for 2-[8-chloro-2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine?
The canonical SMILES for 2-[8-chloro-2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine is Cc1nc2c(Cl)cc(C(F)(F)F)cn2c1C(C)CN.
What is the InChIKey of 2-[8-chloro-2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine?
The InChIKey is FCRSSOSYTPTRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3N3/c1-6(4-17)10-7(2)18-11-9(13)3-8(5-19(10)11)12(14,15)16/h3,5-6H,4,17H2,1-2H3.
What are the key properties of 2-[8-chloro-2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine?
2-[8-chloro-2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine has a molecular weight of 291.70 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-chloro-2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine is sourced from PubChem (CID 82030290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).