7-bromo-3-chloro-5-prop-1-en-2-ylchromeno[2,3-c]pyridin-5-ol

C15H11BrClNO2 — CID 86761963

IUPAC7-bromo-3-chloro-5-prop-1-en-2-ylchromeno[2,3-c]pyridin-5-ol
SMILESC=C(C)C1(O)c2cc(Br)ccc2Oc2cnc(Cl)cc21
InChIInChI=1S/C15H11BrClNO2/c1-8(2)15(19)10-5-9(16)3-4-12(10)20-13-7-18-14(17)6-11(13)15/h3-7,19H,1H2,2H3
InChIKeyHMFAQXZFISLMQK-UHFFFAOYSA-N
MW352.62 g/mol
LogP4.42
Rot. Bonds1

About 7-bromo-3-chloro-5-prop-1-en-2-ylchromeno[2,3-c]pyridin-5-ol

7-bromo-3-chloro-5-prop-1-en-2-ylchromeno[2,3-c]pyridin-5-ol (PubChem CID 86761963) has the molecular formula C15H11BrClNO2 and a molecular weight of 352.62 g/mol. Its IUPAC name is 7-bromo-3-chloro-5-prop-1-en-2-ylchromeno[2,3-c]pyridin-5-ol.

Molecular Properties

Compound Name7-bromo-3-chloro-5-prop-1-en-2-ylchromeno[2,3-c]pyridin-5-ol
PubChem CID86761963
Molecular FormulaC15H11BrClNO2
Molecular Weight352.62 g/mol
Exact Mass350.97
IUPAC Name7-bromo-3-chloro-5-prop-1-en-2-ylchromeno[2,3-c]pyridin-5-ol
SMILESC=C(C)C1(O)c2cc(Br)ccc2Oc2cnc(Cl)cc21
InChIInChI=1S/C15H11BrClNO2/c1-8(2)15(19)10-5-9(16)3-4-12(10)20-13-7-18-14(17)6-11(13)15/h3-7,19H,1H2,2H3
InChIKeyHMFAQXZFISLMQK-UHFFFAOYSA-N
XLogP4.42
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.62
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-7'-bromo-3'-chlorospiro[1,2-dihydropyrrole-3,5'-chromeno[2,3-c]pyridine]-5-amine
CID 141263181
(5S)-7'-bromo-3'-chlorospiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-c]pyridine]-3-amine
CID 58465879
7'-bromo-3'-chlorospiro[6,7-dihydro-2H-1,4-oxazepine-5,5'-chromeno[2,3-c]pyridine]-3-amine
CID 86709320
(7'-bromo-3'-chlorospiro[5H-1,3-thiazole-4,5'-chromeno[2,3-c]pyridine]-2-yl)carbamic acid
CID 89387174
(6S)-2-amino-7'-bromo-3'-chloro-3-methylspiro[5H-pyrimidine-6,5'-chromeno[2,3-c]pyridine]-4-one
CID 91819658
7'-bromo-3'-chlorospiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine;6-chloropyridin-3-ol
CID 160671418
tert-butyl N-[(4S)-7'-bromo-3'-chlorospiro[5H-1,3-thiazole-4,5'-chromeno[2,3-c]pyridine]-2-yl]carbamate
CID 86658495
N-[7-bromo-3-chloro-5-[2-(cyanomethoxy)ethyl]chromeno[2,3-c]pyridin-5-yl]-2-methylpropane-2-sulfinamide
CID 86709319
2-bromo-6-chloro-9,9-dimethylxanthene
CID 163217021
6-bromo-3-chloroisoquinoline
CID 22607530
N-(7'-bromo-3'-chlorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-2-yl)-4-nitrobenzamide;hydrochloride
CID 86658375
2,6-dibromo-9,10-dimethylanthracene-9,10-diol
CID 59766462

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-chloro-5-prop-1-en-2-ylchromeno[2,3-c]pyridin-5-ol?
The IUPAC name of 7-bromo-3-chloro-5-prop-1-en-2-ylchromeno[2,3-c]pyridin-5-ol (CID 86761963) is 7-bromo-3-chloro-5-prop-1-en-2-ylchromeno[2,3-c]pyridin-5-ol.
What is the SMILES notation for 7-bromo-3-chloro-5-prop-1-en-2-ylchromeno[2,3-c]pyridin-5-ol?
The canonical SMILES for 7-bromo-3-chloro-5-prop-1-en-2-ylchromeno[2,3-c]pyridin-5-ol is C=C(C)C1(O)c2cc(Br)ccc2Oc2cnc(Cl)cc21.
What is the InChIKey of 7-bromo-3-chloro-5-prop-1-en-2-ylchromeno[2,3-c]pyridin-5-ol?
The InChIKey is HMFAQXZFISLMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO2/c1-8(2)15(19)10-5-9(16)3-4-12(10)20-13-7-18-14(17)6-11(13)15/h3-7,19H,1H2,2H3.
What are the key properties of 7-bromo-3-chloro-5-prop-1-en-2-ylchromeno[2,3-c]pyridin-5-ol?
7-bromo-3-chloro-5-prop-1-en-2-ylchromeno[2,3-c]pyridin-5-ol has a molecular weight of 352.62 g/mol, XLogP of 4.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-chloro-5-prop-1-en-2-ylchromeno[2,3-c]pyridin-5-ol is sourced from PubChem (CID 86761963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).