methyl 1-[[6-(azidomethyl)-2-pyridinyl]methyl]-5-fluoroindole-3-carboxylate

C17H14FN5O2 — CID 54271522

IUPACmethyl 1-[[6-(azidomethyl)-2-pyridinyl]methyl]-5-fluoroindole-3-carboxylate
SMILESCOC(=O)c1cn(Cc2cccc(CN=[N+]=[N-])n2)c2ccc(F)cc12
InChIInChI=1S/C17H14FN5O2/c1-25-17(24)15-10-23(16-6-5-11(18)7-14(15)16)9-13-4-2-3-12(21-13)8-20-22-19/h2-7,10H,8-9H2,1H3
InChIKeyRKLZYURKHUNNHX-UHFFFAOYSA-N
MW339.33 g/mol
LogP3.82
Rot. Bonds5

About methyl 1-[[6-(azidomethyl)-2-pyridinyl]methyl]-5-fluoroindole-3-carboxylate

methyl 1-[[6-(azidomethyl)-2-pyridinyl]methyl]-5-fluoroindole-3-carboxylate (PubChem CID 54271522) has the molecular formula C17H14FN5O2 and a molecular weight of 339.33 g/mol. Its IUPAC name is methyl 1-[[6-(azidomethyl)-2-pyridinyl]methyl]-5-fluoroindole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[6-(azidomethyl)-2-pyridinyl]methyl]-5-fluoroindole-3-carboxylate
PubChem CID54271522
Molecular FormulaC17H14FN5O2
Molecular Weight339.33 g/mol
Exact Mass339.11
IUPAC Namemethyl 1-[[6-(azidomethyl)-2-pyridinyl]methyl]-5-fluoroindole-3-carboxylate
SMILESCOC(=O)c1cn(Cc2cccc(CN=[N+]=[N-])n2)c2ccc(F)cc12
InChIInChI=1S/C17H14FN5O2/c1-25-17(24)15-10-23(16-6-5-11(18)7-14(15)16)9-13-4-2-3-12(21-13)8-20-22-19/h2-7,10H,8-9H2,1H3
InChIKeyRKLZYURKHUNNHX-UHFFFAOYSA-N
XLogP3.82
TPSA92.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

methyl 1-[1-(6-azido-2-pyridinyl)ethyl]-5-fluoroindole-3-carboxylate
CID 150035735
methyl 1-(4-azidocyclopenten-1-yl)-5-fluoroindole-3-carboxylate
CID 141029275
methyl 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-5-fluorobenzoate
CID 168656279
methyl 5-ethyl-1-(3-hydroxypropyl)indole-3-carboxylate
CID 83947740
methyl 1-(2-azidoethyl)indazole-4-carboxylate
CID 129300487
2-(3-methoxycarbonylindol-1-yl)acetic acid
CID 4962452
6-fluoro-1-[(3-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
CID 2136066
methyl 3-(azidomethyl)-2,6-difluorobenzoate
CID 155573746
1-[1-(2,2-difluoroethyl)-5-fluoroindol-3-yl]ethanone
CID 118447216
methyl 1-ethyl-5-methoxycarbonyloxyindole-3-carboxylate
CID 57297438
methyl 3-carbonazidoyl-1-[3-(dimethylamino)propyl]indole-5-carboxylate
CID 54491111
ethyl 1-[(3-bromophenyl)methyl]-6-fluoro-4-oxoquinoline-3-carboxylate
CID 94674240

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[6-(azidomethyl)-2-pyridinyl]methyl]-5-fluoroindole-3-carboxylate?
The IUPAC name of methyl 1-[[6-(azidomethyl)-2-pyridinyl]methyl]-5-fluoroindole-3-carboxylate (CID 54271522) is methyl 1-[[6-(azidomethyl)-2-pyridinyl]methyl]-5-fluoroindole-3-carboxylate.
What is the SMILES notation for methyl 1-[[6-(azidomethyl)-2-pyridinyl]methyl]-5-fluoroindole-3-carboxylate?
The canonical SMILES for methyl 1-[[6-(azidomethyl)-2-pyridinyl]methyl]-5-fluoroindole-3-carboxylate is COC(=O)c1cn(Cc2cccc(CN=[N+]=[N-])n2)c2ccc(F)cc12.
What is the InChIKey of methyl 1-[[6-(azidomethyl)-2-pyridinyl]methyl]-5-fluoroindole-3-carboxylate?
The InChIKey is RKLZYURKHUNNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2/c1-25-17(24)15-10-23(16-6-5-11(18)7-14(15)16)9-13-4-2-3-12(21-13)8-20-22-19/h2-7,10H,8-9H2,1H3.
What are the key properties of methyl 1-[[6-(azidomethyl)-2-pyridinyl]methyl]-5-fluoroindole-3-carboxylate?
methyl 1-[[6-(azidomethyl)-2-pyridinyl]methyl]-5-fluoroindole-3-carboxylate has a molecular weight of 339.33 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[6-(azidomethyl)-2-pyridinyl]methyl]-5-fluoroindole-3-carboxylate is sourced from PubChem (CID 54271522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).