5-bromo-2-cyclopropylpyridine;ethyl formate;pyridin-3-amine

C16H20BrN3O2 — CID 158130502

IUPAC5-bromo-2-cyclopropylpyridine;ethyl formate;pyridin-3-amine
SMILESBrc1ccc(C2CC2)nc1.CCOC=O.Nc1cccnc1
InChIInChI=1S/C8H8BrN.C5H6N2.C3H6O2/c9-7-3-4-8(10-5-7)6-1-2-6;6-5-2-1-3-7-4-5;1-2-5-3-4/h3-6H,1-2H2;1-4H,6H2;3H,2H2,1H3
InChIKeyFSSGLXOEOYYGSW-UHFFFAOYSA-N
MW366.26 g/mol
LogP3.56
Rot. Bonds3

About 5-bromo-2-cyclopropylpyridine;ethyl formate;pyridin-3-amine

5-bromo-2-cyclopropylpyridine;ethyl formate;pyridin-3-amine (PubChem CID 158130502) has the molecular formula C16H20BrN3O2 and a molecular weight of 366.26 g/mol. Its IUPAC name is 5-bromo-2-cyclopropylpyridine;ethyl formate;pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-2-cyclopropylpyridine;ethyl formate;pyridin-3-amine
PubChem CID158130502
Molecular FormulaC16H20BrN3O2
Molecular Weight366.26 g/mol
Exact Mass365.07
IUPAC Name5-bromo-2-cyclopropylpyridine;ethyl formate;pyridin-3-amine
SMILESBrc1ccc(C2CC2)nc1.CCOC=O.Nc1cccnc1
InChIInChI=1S/C8H8BrN.C5H6N2.C3H6O2/c9-7-3-4-8(10-5-7)6-1-2-6;6-5-2-1-3-7-4-5;1-2-5-3-4/h3-6H,1-2H2;1-4H,6H2;3H,2H2,1H3
InChIKeyFSSGLXOEOYYGSW-UHFFFAOYSA-N
XLogP3.56
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-cyclopropylpyridine;ethyl formate;pyrimidin-5-amine
CID 160698295
6-cyclopropylpyridin-3-amine;propanoic acid
CID 174674900
6-cyclopropylpyridin-3-amine;hydrochloride
CID 118705214
molecular hydrogen;propane;pyridin-3-amine
CID 156868620
ethyl propanoate;pyridin-3-amine;dihydrochloride
CID 174751108
aniline;bicyclo[2.2.0]hexa-1,3,5-triene;ethyl formate
CID 174349265
bis(pyridin-3-amine);hydrate
CID 172803625
iron;pyridin-3-amine
CID 174751178
6-cyclopropylpyridine-3-carbaldehyde
CID 45083600
3-(5-bromo-2-pyridinyl)cyclobutan-1-one
CID 146082553
ethyl formate;3-[(4-fluorophenyl)methyl]pyridine
CID 174527511
5-bromo-2-(thian-4-yl)pyridine
CID 155970460

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclopropylpyridine;ethyl formate;pyridin-3-amine?
The IUPAC name of 5-bromo-2-cyclopropylpyridine;ethyl formate;pyridin-3-amine (CID 158130502) is 5-bromo-2-cyclopropylpyridine;ethyl formate;pyridin-3-amine.
What is the SMILES notation for 5-bromo-2-cyclopropylpyridine;ethyl formate;pyridin-3-amine?
The canonical SMILES for 5-bromo-2-cyclopropylpyridine;ethyl formate;pyridin-3-amine is Brc1ccc(C2CC2)nc1.CCOC=O.Nc1cccnc1.
What is the InChIKey of 5-bromo-2-cyclopropylpyridine;ethyl formate;pyridin-3-amine?
The InChIKey is FSSGLXOEOYYGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN.C5H6N2.C3H6O2/c9-7-3-4-8(10-5-7)6-1-2-6;6-5-2-1-3-7-4-5;1-2-5-3-4/h3-6H,1-2H2;1-4H,6H2;3H,2H2,1H3.
What are the key properties of 5-bromo-2-cyclopropylpyridine;ethyl formate;pyridin-3-amine?
5-bromo-2-cyclopropylpyridine;ethyl formate;pyridin-3-amine has a molecular weight of 366.26 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclopropylpyridine;ethyl formate;pyridin-3-amine is sourced from PubChem (CID 158130502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).