5-chloro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2-methoxypyridine

C15H13ClN4O — CID 77095111

IUPAC5-chloro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2-methoxypyridine
SMILESCOc1cc(-c2ccc(Cn3ccnc3)cn2)c(Cl)cn1
InChIInChI=1S/C15H13ClN4O/c1-21-15-6-12(13(16)8-19-15)14-3-2-11(7-18-14)9-20-5-4-17-10-20/h2-8,10H,9H2,1H3
InChIKeyGLUFDYCYXDQCLD-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.05
Rot. Bonds4

About 5-chloro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2-methoxypyridine

5-chloro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2-methoxypyridine (PubChem CID 77095111) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 5-chloro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2-methoxypyridine.

Molecular Properties

Compound Name5-chloro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2-methoxypyridine
PubChem CID77095111
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name5-chloro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2-methoxypyridine
SMILESCOc1cc(-c2ccc(Cn3ccnc3)cn2)c(Cl)cn1
InChIInChI=1S/C15H13ClN4O/c1-21-15-6-12(13(16)8-19-15)14-3-2-11(7-18-14)9-20-5-4-17-10-20/h2-8,10H,9H2,1H3
InChIKeyGLUFDYCYXDQCLD-UHFFFAOYSA-N
XLogP3.05
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyridine
CID 74242847
5-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2,3,4-trimethoxybenzoic acid
CID 155915779
2-(2-fluorophenyl)-5-(imidazol-1-ylmethyl)pyridine
CID 57329788
5-(imidazol-1-ylmethyl)-2-[4-(1H-pyrazol-4-yl)phenyl]pyridine
CID 155918504
1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen
CID 167543192
2-imidazol-1-yl-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 114936698
3-chloro-6-(imidazol-1-ylmethyl)quinoline
CID 174964420
carbamoyl 3-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-5-(2-methylpropyl)thiophene-2-sulfonate
CID 175475386
5-[6-(imidazol-1-ylmethyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-2-methoxypyridine
CID 172834777
N-(3-chloro-4-methoxyphenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43922042
5-(imidazol-1-ylmethyl)-2H-benzotriazole;hydrochloride
CID 19995935
2-[4-(imidazol-1-ylmethyl)phenoxy]acetic acid
CID 12870444

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2-methoxypyridine?
The IUPAC name of 5-chloro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2-methoxypyridine (CID 77095111) is 5-chloro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2-methoxypyridine.
What is the SMILES notation for 5-chloro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2-methoxypyridine?
The canonical SMILES for 5-chloro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2-methoxypyridine is COc1cc(-c2ccc(Cn3ccnc3)cn2)c(Cl)cn1.
What is the InChIKey of 5-chloro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2-methoxypyridine?
The InChIKey is GLUFDYCYXDQCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-21-15-6-12(13(16)8-19-15)14-3-2-11(7-18-14)9-20-5-4-17-10-20/h2-8,10H,9H2,1H3.
What are the key properties of 5-chloro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2-methoxypyridine?
5-chloro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2-methoxypyridine has a molecular weight of 300.75 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[5-(imidazol-1-ylmethyl)-2-pyridinyl]-2-methoxypyridine is sourced from PubChem (CID 77095111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).