3-chloro-4-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]pyridine

C11H9ClF3N3 — CID 167449101

IUPAC3-chloro-4-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]pyridine
SMILESFC(F)(F)Cc1ncc(Cc2ccncc2Cl)[nH]1
InChIInChI=1S/C11H9ClF3N3/c12-9-6-16-2-1-7(9)3-8-5-17-10(18-8)4-11(13,14)15/h1-2,5-6H,3-4H2,(H,17,18)
InChIKeyVDHIQHRAQRYWPN-UHFFFAOYSA-N
MW275.66 g/mol
LogP3.15
Rot. Bonds3

About 3-chloro-4-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]pyridine

3-chloro-4-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]pyridine (PubChem CID 167449101) has the molecular formula C11H9ClF3N3 and a molecular weight of 275.66 g/mol. Its IUPAC name is 3-chloro-4-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]pyridine.

Molecular Properties

Compound Name3-chloro-4-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]pyridine
PubChem CID167449101
Molecular FormulaC11H9ClF3N3
Molecular Weight275.66 g/mol
Exact Mass275.04
IUPAC Name3-chloro-4-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]pyridine
SMILESFC(F)(F)Cc1ncc(Cc2ccncc2Cl)[nH]1
InChIInChI=1S/C11H9ClF3N3/c12-9-6-16-2-1-7(9)3-8-5-17-10(18-8)4-11(13,14)15/h1-2,5-6H,3-4H2,(H,17,18)
InChIKeyVDHIQHRAQRYWPN-UHFFFAOYSA-N
XLogP3.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.66
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methyl]pyridine
CID 167449121
3-chloro-4-(2-chloro-3,3,3-trifluoropropyl)pyridine
CID 112655896
2-[(3-chloro-4-pyridinyl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine
CID 112566520
4-[[2-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-5-yl]methyl]pyridine
CID 170752744
3-(3-chloro-4-pyridinyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516735
4-[2-bromo-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-chloropyridine
CID 116629479
4-[2,2-bis(chloromethyl)-4-methylpentyl]-3-chloropyridine
CID 79448044
4-[2-(bromomethyl)-2,3-dimethylbutyl]-3-chloropyridine
CID 83152349
3-(3-chloro-4-pyridinyl)-2,2-dimethylpropanal
CID 130705947
2-(3-chloro-4-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 115984863
4-[2,2-bis(bromomethyl)-4-methylpentyl]-3-chloropyridine
CID 79452865
1-(3-chloro-4-pyridinyl)-4,4,4-trifluorobutan-1-amine
CID 112631132

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]pyridine?
The IUPAC name of 3-chloro-4-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]pyridine (CID 167449101) is 3-chloro-4-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]pyridine.
What is the SMILES notation for 3-chloro-4-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]pyridine?
The canonical SMILES for 3-chloro-4-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]pyridine is FC(F)(F)Cc1ncc(Cc2ccncc2Cl)[nH]1.
What is the InChIKey of 3-chloro-4-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]pyridine?
The InChIKey is VDHIQHRAQRYWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3/c12-9-6-16-2-1-7(9)3-8-5-17-10(18-8)4-11(13,14)15/h1-2,5-6H,3-4H2,(H,17,18).
What are the key properties of 3-chloro-4-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]pyridine?
3-chloro-4-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]pyridine has a molecular weight of 275.66 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-5-yl]methyl]pyridine is sourced from PubChem (CID 167449101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).