2,4-dichloro-5-(imidazol-1-ylmethyl)pyridine

C9H7Cl2N3 — CID 116519118

IUPAC2,4-dichloro-5-(imidazol-1-ylmethyl)pyridine
SMILESClc1cc(Cl)c(Cn2ccnc2)cn1
InChIInChI=1S/C9H7Cl2N3/c10-8-3-9(11)13-4-7(8)5-14-2-1-12-6-14/h1-4,6H,5H2
InChIKeyJCUTZJQLEBMUKF-UHFFFAOYSA-N
MW228.08 g/mol
LogP2.63
Rot. Bonds2

About 2,4-dichloro-5-(imidazol-1-ylmethyl)pyridine

2,4-dichloro-5-(imidazol-1-ylmethyl)pyridine (PubChem CID 116519118) has the molecular formula C9H7Cl2N3 and a molecular weight of 228.08 g/mol. Its IUPAC name is 2,4-dichloro-5-(imidazol-1-ylmethyl)pyridine.

Molecular Properties

Compound Name2,4-dichloro-5-(imidazol-1-ylmethyl)pyridine
PubChem CID116519118
Molecular FormulaC9H7Cl2N3
Molecular Weight228.08 g/mol
Exact Mass227.00
IUPAC Name2,4-dichloro-5-(imidazol-1-ylmethyl)pyridine
SMILESClc1cc(Cl)c(Cn2ccnc2)cn1
InChIInChI=1S/C9H7Cl2N3/c10-8-3-9(11)13-4-7(8)5-14-2-1-12-6-14/h1-4,6H,5H2
InChIKeyJCUTZJQLEBMUKF-UHFFFAOYSA-N
XLogP2.63
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(imidazol-1-ylmethyl)-1,3-thiazole
CID 1488034
2-[2-chloro-4-(imidazol-1-ylmethyl)phenyl]acetic acid
CID 171617121
1-[[4-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]imidazole
CID 21481677
2-chloro-N-(2-imidazol-1-ylethyl)-N-methyl-5-propan-2-ylpyridin-4-amine
CID 167933391
1-[(4-chloro-2-methoxyphenyl)methyl]imidazole
CID 69219836
3-chloro-6-(imidazol-1-ylmethyl)quinoline
CID 174964420
bis(4-chloro-2,6-bis(imidazol-1-ylmethyl)phenol);methylsulfinylmethane;bis(palladium(2+));tetrachloride
CID 139181553
2,5-dichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 114917693
4-[(2,4-dichlorophenyl)methyl]-3-(imidazol-1-ylmethyl)-1H-1,2,4-triazol-5-one
CID 50952916
3-(imidazol-1-ylmethyl)benzene-1,2-diol
CID 11159799
4,6-dichloro-2-(imidazol-1-ylmethyl)-5-methylpyrimidine
CID 131091988
2-(imidazol-1-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 131142423

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(imidazol-1-ylmethyl)pyridine?
The IUPAC name of 2,4-dichloro-5-(imidazol-1-ylmethyl)pyridine (CID 116519118) is 2,4-dichloro-5-(imidazol-1-ylmethyl)pyridine.
What is the SMILES notation for 2,4-dichloro-5-(imidazol-1-ylmethyl)pyridine?
The canonical SMILES for 2,4-dichloro-5-(imidazol-1-ylmethyl)pyridine is Clc1cc(Cl)c(Cn2ccnc2)cn1.
What is the InChIKey of 2,4-dichloro-5-(imidazol-1-ylmethyl)pyridine?
The InChIKey is JCUTZJQLEBMUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3/c10-8-3-9(11)13-4-7(8)5-14-2-1-12-6-14/h1-4,6H,5H2.
What are the key properties of 2,4-dichloro-5-(imidazol-1-ylmethyl)pyridine?
2,4-dichloro-5-(imidazol-1-ylmethyl)pyridine has a molecular weight of 228.08 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(imidazol-1-ylmethyl)pyridine is sourced from PubChem (CID 116519118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).