N-(2-bromoprop-2-enyl)-1H-pyrrolo[2,3-c]pyridin-5-amine

C10H10BrN3 — CID 130667288

IUPACN-(2-bromoprop-2-enyl)-1H-pyrrolo[2,3-c]pyridin-5-amine
SMILESC=C(Br)CNc1cc2cc[nH]c2cn1
InChIInChI=1S/C10H10BrN3/c1-7(11)5-13-10-4-8-2-3-12-9(8)6-14-10/h2-4,6,12H,1,5H2,(H,13,14)
InChIKeyCSKPFCANHZDHKK-UHFFFAOYSA-N
MW252.11 g/mol
LogP2.88
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-1H-pyrrolo[2,3-c]pyridin-5-amine

N-(2-bromoprop-2-enyl)-1H-pyrrolo[2,3-c]pyridin-5-amine (PubChem CID 130667288) has the molecular formula C10H10BrN3 and a molecular weight of 252.11 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-1H-pyrrolo[2,3-c]pyridin-5-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-1H-pyrrolo[2,3-c]pyridin-5-amine
PubChem CID130667288
Molecular FormulaC10H10BrN3
Molecular Weight252.11 g/mol
Exact Mass251.01
IUPAC NameN-(2-bromoprop-2-enyl)-1H-pyrrolo[2,3-c]pyridin-5-amine
SMILESC=C(Br)CNc1cc2cc[nH]c2cn1
InChIInChI=1S/C10H10BrN3/c1-7(11)5-13-10-4-8-2-3-12-9(8)6-14-10/h2-4,6,12H,1,5H2,(H,13,14)
InChIKeyCSKPFCANHZDHKK-UHFFFAOYSA-N
XLogP2.88
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-1H-pyrrolo[2,3-c]pyridin-5-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)-1H-pyrrolo[2,3-c]pyridin-5-amine (CID 130667288) is N-(2-bromoprop-2-enyl)-1H-pyrrolo[2,3-c]pyridin-5-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-1H-pyrrolo[2,3-c]pyridin-5-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)-1H-pyrrolo[2,3-c]pyridin-5-amine is C=C(Br)CNc1cc2cc[nH]c2cn1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-1H-pyrrolo[2,3-c]pyridin-5-amine?
The InChIKey is CSKPFCANHZDHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c1-7(11)5-13-10-4-8-2-3-12-9(8)6-14-10/h2-4,6,12H,1,5H2,(H,13,14).
What are the key properties of N-(2-bromoprop-2-enyl)-1H-pyrrolo[2,3-c]pyridin-5-amine?
N-(2-bromoprop-2-enyl)-1H-pyrrolo[2,3-c]pyridin-5-amine has a molecular weight of 252.11 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-1H-pyrrolo[2,3-c]pyridin-5-amine is sourced from PubChem (CID 130667288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).