(2-bromo-7,8-dihydro-5H-pyrano[4,3-b]pyridin-4-yl)methanamine

C9H11BrN2O — CID 130115658

IUPAC(2-bromo-7,8-dihydro-5H-pyrano[4,3-b]pyridin-4-yl)methanamine
SMILESNCc1cc(Br)nc2c1COCC2
InChIInChI=1S/C9H11BrN2O/c10-9-3-6(4-11)7-5-13-2-1-8(7)12-9/h3H,1-2,4-5,11H2
InChIKeyOXTPAFZXHJFOCJ-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.38
Rot. Bonds1

About (2-bromo-7,8-dihydro-5H-pyrano[4,3-b]pyridin-4-yl)methanamine

(2-bromo-7,8-dihydro-5H-pyrano[4,3-b]pyridin-4-yl)methanamine (PubChem CID 130115658) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is (2-bromo-7,8-dihydro-5H-pyrano[4,3-b]pyridin-4-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-7,8-dihydro-5H-pyrano[4,3-b]pyridin-4-yl)methanamine
PubChem CID130115658
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name(2-bromo-7,8-dihydro-5H-pyrano[4,3-b]pyridin-4-yl)methanamine
SMILESNCc1cc(Br)nc2c1COCC2
InChIInChI=1S/C9H11BrN2O/c10-9-3-6(4-11)7-5-13-2-1-8(7)12-9/h3H,1-2,4-5,11H2
InChIKeyOXTPAFZXHJFOCJ-UHFFFAOYSA-N
XLogP1.38
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-bromophenyl)methyl]-4-chloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470653
8-bromo-6,7,10-trichloro-3,4-dihydro-1H-pyrano[4,3-b]quinoline
CID 114002088
2-(3-aminopropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 105461903
3,4-dihydro-1H-isochromen-8-ylmethanamine
CID 82596475
8-bromo-10-chloro-3,4-dihydro-1H-pyrano[4,3-b]quinoline
CID 106471013
(6-bromo-1H-pyrazolo[5,4-b]pyridin-4-yl)methanamine
CID 133059794
2-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472008
2-(3-bromofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106889312
[2-(4-bromo-5-chlorothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473662
(2-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)hydrazine
CID 106473388
2-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)acetic acid
CID 105462637
[2-(5-bromothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473597

Frequently Asked Questions

What is the IUPAC name of (2-bromo-7,8-dihydro-5H-pyrano[4,3-b]pyridin-4-yl)methanamine?
The IUPAC name of (2-bromo-7,8-dihydro-5H-pyrano[4,3-b]pyridin-4-yl)methanamine (CID 130115658) is (2-bromo-7,8-dihydro-5H-pyrano[4,3-b]pyridin-4-yl)methanamine.
What is the SMILES notation for (2-bromo-7,8-dihydro-5H-pyrano[4,3-b]pyridin-4-yl)methanamine?
The canonical SMILES for (2-bromo-7,8-dihydro-5H-pyrano[4,3-b]pyridin-4-yl)methanamine is NCc1cc(Br)nc2c1COCC2.
What is the InChIKey of (2-bromo-7,8-dihydro-5H-pyrano[4,3-b]pyridin-4-yl)methanamine?
The InChIKey is OXTPAFZXHJFOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c10-9-3-6(4-11)7-5-13-2-1-8(7)12-9/h3H,1-2,4-5,11H2.
What are the key properties of (2-bromo-7,8-dihydro-5H-pyrano[4,3-b]pyridin-4-yl)methanamine?
(2-bromo-7,8-dihydro-5H-pyrano[4,3-b]pyridin-4-yl)methanamine has a molecular weight of 243.10 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-7,8-dihydro-5H-pyrano[4,3-b]pyridin-4-yl)methanamine is sourced from PubChem (CID 130115658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).