5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-2-carboxamide

C15H13BrN2O3 — CID 106913106

IUPAC5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(C2OCCO2)c1)c1ccc(Br)cn1
InChIInChI=1S/C15H13BrN2O3/c16-11-4-5-13(17-9-11)14(19)18-12-3-1-2-10(8-12)15-20-6-7-21-15/h1-5,8-9,15H,6-7H2,(H,18,19)
InChIKeyWSXBWDPLVYGTCV-UHFFFAOYSA-N
MW349.18 g/mol
LogP3.14
Rot. Bonds3

About 5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-2-carboxamide

5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-2-carboxamide (PubChem CID 106913106) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-2-carboxamide
PubChem CID106913106
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(C2OCCO2)c1)c1ccc(Br)cn1
InChIInChI=1S/C15H13BrN2O3/c16-11-4-5-13(17-9-11)14(19)18-12-3-1-2-10(8-12)15-20-6-7-21-15/h1-5,8-9,15H,6-7H2,(H,18,19)
InChIKeyWSXBWDPLVYGTCV-UHFFFAOYSA-N
XLogP3.14
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyrazine-2-carboxamide
CID 107372233
6-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-3-carboxamide
CID 106911694
N-[3-(1,3-dioxolan-2-yl)phenyl]-6-fluoropyridine-2-carboxamide
CID 106911689
2-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]furan-3-carboxamide
CID 106913105
5-bromo-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide
CID 55153069
N-[3-(1,3-dioxolan-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 106913178
methyl 3-[(5-bromopyridine-2-carbonyl)amino]benzoate
CID 62958863
1-[3-(1,3-dioxolan-2-yl)phenyl]-3-methylurea
CID 13101482
(2S)-2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide
CID 106911920
5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pentanamide
CID 107910768
N-[3-(1,3-dioxan-2-yl)phenyl]thiophene-2-carboxamide
CID 847833
5-bromo-N-(3,4,5-trifluorophenyl)pyridine-2-carboxamide
CID 55152694

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-2-carboxamide (CID 106913106) is 5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-2-carboxamide is O=C(Nc1cccc(C2OCCO2)c1)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is WSXBWDPLVYGTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c16-11-4-5-13(17-9-11)14(19)18-12-3-1-2-10(8-12)15-20-6-7-21-15/h1-5,8-9,15H,6-7H2,(H,18,19).
What are the key properties of 5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-2-carboxamide?
5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 349.18 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 106913106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).