(5S)-7-bromo-3-chloro-1-fluorospiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine

C18H9BrClFN4O — CID 88586759

IUPAC(5S)-7-bromo-3-chloro-1-fluorospiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine
SMILESNC1=N[C@]2(c3cc(Br)ccc3Oc3c2cc(Cl)nc3F)c2cnccc21
InChIInChI=1S/C18H9BrClFN4O/c19-8-1-2-13-10(5-8)18(11-6-14(20)24-16(21)15(11)26-13)12-7-23-4-3-9(12)17(22)25-18/h1-7H,(H2,22,25)/t18-/m0/s1
InChIKeyNUROJTWPWSQXSK-SFHVURJKSA-N
MW431.65 g/mol
LogP4.15
Rot. Bonds

About (5S)-7-bromo-3-chloro-1-fluorospiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine

(5S)-7-bromo-3-chloro-1-fluorospiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine (PubChem CID 88586759) has the molecular formula C18H9BrClFN4O and a molecular weight of 431.65 g/mol. Its IUPAC name is (5S)-7-bromo-3-chloro-1-fluorospiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine.

Molecular Properties

Compound Name(5S)-7-bromo-3-chloro-1-fluorospiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine
PubChem CID88586759
Molecular FormulaC18H9BrClFN4O
Molecular Weight431.65 g/mol
Exact Mass429.96
IUPAC Name(5S)-7-bromo-3-chloro-1-fluorospiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine
SMILESNC1=N[C@]2(c3cc(Br)ccc3Oc3c2cc(Cl)nc3F)c2cnccc21
InChIInChI=1S/C18H9BrClFN4O/c19-8-1-2-13-10(5-8)18(11-6-14(20)24-16(21)15(11)26-13)12-7-23-4-3-9(12)17(22)25-18/h1-7H,(H2,22,25)/t18-/m0/s1
InChIKeyNUROJTWPWSQXSK-SFHVURJKSA-N
XLogP4.15
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.65
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-bromo-3-chloro-1-fluorospiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine?
The IUPAC name of (5S)-7-bromo-3-chloro-1-fluorospiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine (CID 88586759) is (5S)-7-bromo-3-chloro-1-fluorospiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine.
What is the SMILES notation for (5S)-7-bromo-3-chloro-1-fluorospiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine?
The canonical SMILES for (5S)-7-bromo-3-chloro-1-fluorospiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine is NC1=N[C@]2(c3cc(Br)ccc3Oc3c2cc(Cl)nc3F)c2cnccc21.
What is the InChIKey of (5S)-7-bromo-3-chloro-1-fluorospiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine?
The InChIKey is NUROJTWPWSQXSK-SFHVURJKSA-N. The full InChI is InChI=1S/C18H9BrClFN4O/c19-8-1-2-13-10(5-8)18(11-6-14(20)24-16(21)15(11)26-13)12-7-23-4-3-9(12)17(22)25-18/h1-7H,(H2,22,25)/t18-/m0/s1.
What are the key properties of (5S)-7-bromo-3-chloro-1-fluorospiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine?
(5S)-7-bromo-3-chloro-1-fluorospiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine has a molecular weight of 431.65 g/mol, XLogP of 4.15, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-bromo-3-chloro-1-fluorospiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine is sourced from PubChem (CID 88586759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).