6-bromo-5-(2-cyclopropylethynyl)pyridin-3-amine

C10H9BrN2 — CID 172555139

IUPAC6-bromo-5-(2-cyclopropylethynyl)pyridin-3-amine
SMILESNc1cnc(Br)c(C#CC2CC2)c1
InChIInChI=1S/C10H9BrN2/c11-10-8(4-3-7-1-2-7)5-9(12)6-13-10/h5-7H,1-2,12H2
InChIKeyDLHTZGZHHHVMJB-UHFFFAOYSA-N
MW237.10 g/mol
LogP2.19
Rot. Bonds

About 6-bromo-5-(2-cyclopropylethynyl)pyridin-3-amine

6-bromo-5-(2-cyclopropylethynyl)pyridin-3-amine (PubChem CID 172555139) has the molecular formula C10H9BrN2 and a molecular weight of 237.10 g/mol. Its IUPAC name is 6-bromo-5-(2-cyclopropylethynyl)pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-5-(2-cyclopropylethynyl)pyridin-3-amine
PubChem CID172555139
Molecular FormulaC10H9BrN2
Molecular Weight237.10 g/mol
Exact Mass235.99
IUPAC Name6-bromo-5-(2-cyclopropylethynyl)pyridin-3-amine
SMILESNc1cnc(Br)c(C#CC2CC2)c1
InChIInChI=1S/C10H9BrN2/c11-10-8(4-3-7-1-2-7)5-9(12)6-13-10/h5-7H,1-2,12H2
InChIKeyDLHTZGZHHHVMJB-UHFFFAOYSA-N
XLogP2.19
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.10
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-bromo-5-(2-trimethylsilylethynyl)pyridin-3-amine
CID 172555112
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-aminopyridine-3-carbonitrile
CID 113335499
6-bromo-4-(2-cyclobutylethynyl)isoquinolin-3-amine
CID 168926629
5-amino-2-(cyclopentylamino)pyridine-3-carbonitrile
CID 60922873
2,3-dibromo-5-cyclopropylpyridine
CID 130053485
3-bromo-2-N-cyclobutylpyridine-2,5-diamine
CID 79535634
2-chloro-4-fluoro-5-[2-(1-methylpiperidin-4-yl)ethynyl]pyridine
CID 167427356
6-methyl-5-(2-trimethylsilylethynyl)pyridin-3-amine
CID 171781768
5-bromo-6-iodopyridin-3-amine
CID 130668918
3-bromo-2-N-[(4-ethylcyclohexyl)methyl]pyridine-2,5-diamine
CID 79535447
2,5-bis[2-(4-propylcyclohexyl)ethynyl]pyrimidine
CID 19984733
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromopyridin-3-amine
CID 115558883

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-(2-cyclopropylethynyl)pyridin-3-amine?
The IUPAC name of 6-bromo-5-(2-cyclopropylethynyl)pyridin-3-amine (CID 172555139) is 6-bromo-5-(2-cyclopropylethynyl)pyridin-3-amine.
What is the SMILES notation for 6-bromo-5-(2-cyclopropylethynyl)pyridin-3-amine?
The canonical SMILES for 6-bromo-5-(2-cyclopropylethynyl)pyridin-3-amine is Nc1cnc(Br)c(C#CC2CC2)c1.
What is the InChIKey of 6-bromo-5-(2-cyclopropylethynyl)pyridin-3-amine?
The InChIKey is DLHTZGZHHHVMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2/c11-10-8(4-3-7-1-2-7)5-9(12)6-13-10/h5-7H,1-2,12H2.
What are the key properties of 6-bromo-5-(2-cyclopropylethynyl)pyridin-3-amine?
6-bromo-5-(2-cyclopropylethynyl)pyridin-3-amine has a molecular weight of 237.10 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-(2-cyclopropylethynyl)pyridin-3-amine is sourced from PubChem (CID 172555139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).