4-[[2-[(1S)-2,2-dichlorocyclopropyl]-1H-imidazol-5-yl]methyl]pyridine

C12H11Cl2N3 — CID 170752704

IUPAC4-[[2-[(1S)-2,2-dichlorocyclopropyl]-1H-imidazol-5-yl]methyl]pyridine
SMILESClC1(Cl)C[C@H]1c1ncc(Cc2ccncc2)[nH]1
InChIInChI=1S/C12H11Cl2N3/c13-12(14)6-10(12)11-16-7-9(17-11)5-8-1-3-15-4-2-8/h1-4,7,10H,5-6H2,(H,16,17)/t10-/m0/s1
InChIKeyYWOPQDHIJIOTBP-JTQLQIEISA-N
MW268.15 g/mol
LogP3.06
Rot. Bonds3

About 4-[[2-[(1S)-2,2-dichlorocyclopropyl]-1H-imidazol-5-yl]methyl]pyridine

4-[[2-[(1S)-2,2-dichlorocyclopropyl]-1H-imidazol-5-yl]methyl]pyridine (PubChem CID 170752704) has the molecular formula C12H11Cl2N3 and a molecular weight of 268.15 g/mol. Its IUPAC name is 4-[[2-[(1S)-2,2-dichlorocyclopropyl]-1H-imidazol-5-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[2-[(1S)-2,2-dichlorocyclopropyl]-1H-imidazol-5-yl]methyl]pyridine
PubChem CID170752704
Molecular FormulaC12H11Cl2N3
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name4-[[2-[(1S)-2,2-dichlorocyclopropyl]-1H-imidazol-5-yl]methyl]pyridine
SMILESClC1(Cl)C[C@H]1c1ncc(Cc2ccncc2)[nH]1
InChIInChI=1S/C12H11Cl2N3/c13-12(14)6-10(12)11-16-7-9(17-11)5-8-1-3-15-4-2-8/h1-4,7,10H,5-6H2,(H,16,17)/t10-/m0/s1
InChIKeyYWOPQDHIJIOTBP-JTQLQIEISA-N
XLogP3.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[[2-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-5-yl]methyl]pyridine
CID 170752744
4-[[2-(4,4-difluoropiperidin-1-yl)-1H-imidazol-5-yl]methyl]pyridine
CID 170752757
4-[[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methyl]pyridine
CID 167449121
6-(pyridin-4-ylmethyl)-1H-pyrimidin-2-one
CID 67285058
4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
CID 20646252
4-(1H-pyrazol-5-ylmethyl)pyridine
CID 57052578
4-(1H-pyrazol-2-ium-5-ylmethyl)pyridine
CID 173201433
5-benzyl-2-benzylsulfanyl-1H-imidazole
CID 10221342
4-(2-pyridin-4-ylethyl)pyridine;dihydrochloride
CID 131859960
4-(2-pyridin-4-ylethyl)pyridine;hydrochloride
CID 18530302
5-bromo-4-chloro-6-cyclopropyl-2-(pyridin-4-ylmethyl)pyrimidine
CID 66294333
CID 88860637
CID 88860637

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(1S)-2,2-dichlorocyclopropyl]-1H-imidazol-5-yl]methyl]pyridine?
The IUPAC name of 4-[[2-[(1S)-2,2-dichlorocyclopropyl]-1H-imidazol-5-yl]methyl]pyridine (CID 170752704) is 4-[[2-[(1S)-2,2-dichlorocyclopropyl]-1H-imidazol-5-yl]methyl]pyridine.
What is the SMILES notation for 4-[[2-[(1S)-2,2-dichlorocyclopropyl]-1H-imidazol-5-yl]methyl]pyridine?
The canonical SMILES for 4-[[2-[(1S)-2,2-dichlorocyclopropyl]-1H-imidazol-5-yl]methyl]pyridine is ClC1(Cl)C[C@H]1c1ncc(Cc2ccncc2)[nH]1.
What is the InChIKey of 4-[[2-[(1S)-2,2-dichlorocyclopropyl]-1H-imidazol-5-yl]methyl]pyridine?
The InChIKey is YWOPQDHIJIOTBP-JTQLQIEISA-N. The full InChI is InChI=1S/C12H11Cl2N3/c13-12(14)6-10(12)11-16-7-9(17-11)5-8-1-3-15-4-2-8/h1-4,7,10H,5-6H2,(H,16,17)/t10-/m0/s1.
What are the key properties of 4-[[2-[(1S)-2,2-dichlorocyclopropyl]-1H-imidazol-5-yl]methyl]pyridine?
4-[[2-[(1S)-2,2-dichlorocyclopropyl]-1H-imidazol-5-yl]methyl]pyridine has a molecular weight of 268.15 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(1S)-2,2-dichlorocyclopropyl]-1H-imidazol-5-yl]methyl]pyridine is sourced from PubChem (CID 170752704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).