tert-butyl N-(3-bromo-1-ethylpyrrolo[3,2-c]pyridin-6-yl)carbamate

C14H18BrN3O2 — CID 67357244

IUPACtert-butyl N-(3-bromo-1-ethylpyrrolo[3,2-c]pyridin-6-yl)carbamate
SMILESCCn1cc(Br)c2cnc(NC(=O)OC(C)(C)C)cc21
InChIInChI=1S/C14H18BrN3O2/c1-5-18-8-10(15)9-7-16-12(6-11(9)18)17-13(19)20-14(2,3)4/h6-8H,5H2,1-4H3,(H,16,17,19)
InChIKeyPIKSSGFZYHTZMM-UHFFFAOYSA-N
MW340.22 g/mol
LogP4.17
Rot. Bonds2

About tert-butyl N-(3-bromo-1-ethylpyrrolo[3,2-c]pyridin-6-yl)carbamate

tert-butyl N-(3-bromo-1-ethylpyrrolo[3,2-c]pyridin-6-yl)carbamate (PubChem CID 67357244) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is tert-butyl N-(3-bromo-1-ethylpyrrolo[3,2-c]pyridin-6-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-bromo-1-ethylpyrrolo[3,2-c]pyridin-6-yl)carbamate
PubChem CID67357244
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Nametert-butyl N-(3-bromo-1-ethylpyrrolo[3,2-c]pyridin-6-yl)carbamate
SMILESCCn1cc(Br)c2cnc(NC(=O)OC(C)(C)C)cc21
InChIInChI=1S/C14H18BrN3O2/c1-5-18-8-10(15)9-7-16-12(6-11(9)18)17-13(19)20-14(2,3)4/h6-8H,5H2,1-4H3,(H,16,17,19)
InChIKeyPIKSSGFZYHTZMM-UHFFFAOYSA-N
XLogP4.17
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(3-bromo-1-ethylpyrrolo[3,2-c]pyridin-6-yl)carbamoyl]cyclohexa-1,5-diene-1-carboxylate
CID 90334201
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-[4-(4-bromopyrazol-1-yl)-2-pyridinyl]carbamate
CID 156773284
tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate
CID 58477930
tert-butyl N-[1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]carbamate
CID 162753187
tert-butyl N-(2-ethenyl-1-ethylimidazol-4-yl)carbamate
CID 143109510
tert-butyl N-(1-acetylpyrazolo[3,4-c]pyridin-5-yl)carbamate
CID 76764456
tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]carbamate;ethane
CID 143167789
N-(1-ethyl-3-methylpyrrolo[3,2-c]pyridin-6-yl)-4-prop-1-en-2-ylbenzamide
CID 86674848
tert-butyl N-[5-[(4,5-dibromofuran-2-yl)methylamino]-2-pyridinyl]carbamate
CID 107243072
tert-butyl N-[5-(4-bromo-3-methylanilino)-2-pyridinyl]carbamate
CID 113036118
tert-butyl N-[5-ethoxy-2-[(2-methoxyacetyl)amino]-4-pyridinyl]carbamate
CID 170730862

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-bromo-1-ethylpyrrolo[3,2-c]pyridin-6-yl)carbamate?
The IUPAC name of tert-butyl N-(3-bromo-1-ethylpyrrolo[3,2-c]pyridin-6-yl)carbamate (CID 67357244) is tert-butyl N-(3-bromo-1-ethylpyrrolo[3,2-c]pyridin-6-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-bromo-1-ethylpyrrolo[3,2-c]pyridin-6-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-bromo-1-ethylpyrrolo[3,2-c]pyridin-6-yl)carbamate is CCn1cc(Br)c2cnc(NC(=O)OC(C)(C)C)cc21.
What is the InChIKey of tert-butyl N-(3-bromo-1-ethylpyrrolo[3,2-c]pyridin-6-yl)carbamate?
The InChIKey is PIKSSGFZYHTZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-5-18-8-10(15)9-7-16-12(6-11(9)18)17-13(19)20-14(2,3)4/h6-8H,5H2,1-4H3,(H,16,17,19).
What are the key properties of tert-butyl N-(3-bromo-1-ethylpyrrolo[3,2-c]pyridin-6-yl)carbamate?
tert-butyl N-(3-bromo-1-ethylpyrrolo[3,2-c]pyridin-6-yl)carbamate has a molecular weight of 340.22 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-bromo-1-ethylpyrrolo[3,2-c]pyridin-6-yl)carbamate is sourced from PubChem (CID 67357244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).