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

C18H9BrClFN4O — CID 86689249

IUPAC(5R)-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-/m1/s1
InChIKeyNUROJTWPWSQXSK-GOSISDBHSA-N
MW431.65 g/mol
LogP4.15
Rot. Bonds

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

(5R)-7-bromo-3-chloro-1-fluorospiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine (PubChem CID 86689249) has the molecular formula C18H9BrClFN4O and a molecular weight of 431.65 g/mol. Its IUPAC name is (5R)-7-bromo-3-chloro-1-fluorospiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine.

Molecular Properties

Compound Name(5R)-7-bromo-3-chloro-1-fluorospiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine
PubChem CID86689249
Molecular FormulaC18H9BrClFN4O
Molecular Weight431.65 g/mol
Exact Mass429.96
IUPAC Name(5R)-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-/m1/s1
InChIKeyNUROJTWPWSQXSK-GOSISDBHSA-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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Related Compounds

(S)-3-chloro-7-(5-fluoropyridin-3-yl)-5'H-spiro[chromeno[2,3-c]pyridine-5,4'-oxazol]-2'-amine
CID 86658490
(4S)-3'-chloro-7'-(6-fluoro-2-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 145983210
(3S)-7'-bromo-3'-chlorospiro[6,7-dihydro-2H-1,4-oxazepine-3,5'-chromeno[2,3-c]pyridine]-5-amine
CID 60164516
(3R)-7'-bromo-3'-chlorospiro[6,7-dihydro-2H-1,4-oxazepine-3,5'-chromeno[2,3-c]pyridine]-5-amine
CID 60164517
3-Chloro-1-fluoro-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,3'-isoindole]-1'-amine
CID 56652739
3-Chloro-7-(2-fluoro-3-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,3'-isoindole]-1'-amine
CID 56653445
(3'R, 6'S)-3-chloro-6'-cyclohexyl-7-(2-fluoropyridin-3-yl)-2',6'-dihydrospiro[chromeno[2,3-c]pyridine-5,3'-[1,4]oxazin]-5'-amine
CID 58465932
(3'S, 6'S)-3-chloro-6'-cyclohexyl-7-(2-fluoropyridin-3-yl)-2',6'-dihydrospiro[chromeno[2,3-c]pyridine-5,3'-[1,4]oxazin]-5'-amine
CID 58465976
7-Bromo-3-chloro-8-fluoro-2',6'-dihydrospiro[chromeno[2,3-b]pyridine-5,3'-[1,4]oxazin]-5'-amine
CID 58466002
7-bromo-3-chloro-1-fluoro-5'H-spiro[chromeno[2,3-c]pyridine-5,4'-oxazol]-2'-amine
CID 58466112
(4S)-3'-bromo-1'-fluoro-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 58466202
7'-bromo-3'-chloro-9'-fluorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 58466232

Frequently Asked Questions

What is the IUPAC name of (5R)-7-bromo-3-chloro-1-fluorospiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine?
The IUPAC name of (5R)-7-bromo-3-chloro-1-fluorospiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine (CID 86689249) is (5R)-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 (5R)-7-bromo-3-chloro-1-fluorospiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine?
The canonical SMILES for (5R)-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 (5R)-7-bromo-3-chloro-1-fluorospiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine?
The InChIKey is NUROJTWPWSQXSK-GOSISDBHSA-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-/m1/s1.
What are the key properties of (5R)-7-bromo-3-chloro-1-fluorospiro[chromeno[2,3-c]pyridine-5,3'-pyrrolo[3,4-c]pyridine]-1'-amine?
(5R)-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 (5R)-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 86689249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).