methyl 6-[(5-phenyltetrazol-2-yl)methyl]pyridine-3-carboxylate

C15H13N5O2 — CID 162443610

IUPACmethyl 6-[(5-phenyltetrazol-2-yl)methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)nc1
InChIInChI=1S/C15H13N5O2/c1-22-15(21)12-7-8-13(16-9-12)10-20-18-14(17-19-20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyMTLRNZSOYDYLHN-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.57
Rot. Bonds4

About methyl 6-[(5-phenyltetrazol-2-yl)methyl]pyridine-3-carboxylate

methyl 6-[(5-phenyltetrazol-2-yl)methyl]pyridine-3-carboxylate (PubChem CID 162443610) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is methyl 6-[(5-phenyltetrazol-2-yl)methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(5-phenyltetrazol-2-yl)methyl]pyridine-3-carboxylate
PubChem CID162443610
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Namemethyl 6-[(5-phenyltetrazol-2-yl)methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)nc1
InChIInChI=1S/C15H13N5O2/c1-22-15(21)12-7-8-13(16-9-12)10-20-18-14(17-19-20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyMTLRNZSOYDYLHN-UHFFFAOYSA-N
XLogP1.57
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[(5-phenyltetrazol-2-yl)methyl]furan-3-carboxylate
CID 134024131
2-[(5-phenyltetrazol-2-yl)methyl]pyridine
CID 134010962
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
2-chloro-5-[(5-phenyltetrazol-2-yl)methyl]pyrazine
CID 103054482
ethane;methyl 6-(bromomethyl)pyridine-3-carboxylate
CID 142289362
methyl 6-(chloromethyl)pyridine-3-carboxylate
CID 15331516
methyl 4-[2-(2,2-difluoroethyl)tetrazol-5-yl]benzoate
CID 71999533
3,5-dimethoxy-4-methyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 46652930
methyl 6-[[5-(2,2-difluoroethoxy)-6-oxo-2-phenylpyrimidin-1-yl]methyl]pyridine-3-carboxylate
CID 178112191
methyl 4-[2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]tetrazol-5-yl]benzoate
CID 71873560
methyl 2-methyl-4-(5-phenyltetrazol-2-yl)but-2-enoate
CID 77075919
3-(5-phenyltetrazol-2-yl)propyl 6-propan-2-yloxypyridine-3-carboxylate
CID 86902595

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(5-phenyltetrazol-2-yl)methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(5-phenyltetrazol-2-yl)methyl]pyridine-3-carboxylate (CID 162443610) is methyl 6-[(5-phenyltetrazol-2-yl)methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(5-phenyltetrazol-2-yl)methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(5-phenyltetrazol-2-yl)methyl]pyridine-3-carboxylate is COC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)nc1.
What is the InChIKey of methyl 6-[(5-phenyltetrazol-2-yl)methyl]pyridine-3-carboxylate?
The InChIKey is MTLRNZSOYDYLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-22-15(21)12-7-8-13(16-9-12)10-20-18-14(17-19-20)11-5-3-2-4-6-11/h2-9H,10H2,1H3.
What are the key properties of methyl 6-[(5-phenyltetrazol-2-yl)methyl]pyridine-3-carboxylate?
methyl 6-[(5-phenyltetrazol-2-yl)methyl]pyridine-3-carboxylate has a molecular weight of 295.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(5-phenyltetrazol-2-yl)methyl]pyridine-3-carboxylate is sourced from PubChem (CID 162443610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).