4-bromo-3-chloro-2-fluoro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine

C10H10BrClFNO — CID 167037501

IUPAC4-bromo-3-chloro-2-fluoro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine
SMILESCC1(C)Cc2nc(F)c(Cl)c(Br)c2CO1
InChIInChI=1S/C10H10BrClFNO/c1-10(2)3-6-5(4-15-10)7(11)8(12)9(13)14-6/h3-4H2,1-2H3
InChIKeyCPZXJLYWJBBOJG-UHFFFAOYSA-N
MW294.55 g/mol
LogP3.49
Rot. Bonds

About 4-bromo-3-chloro-2-fluoro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine

4-bromo-3-chloro-2-fluoro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine (PubChem CID 167037501) has the molecular formula C10H10BrClFNO and a molecular weight of 294.55 g/mol. Its IUPAC name is 4-bromo-3-chloro-2-fluoro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine.

Molecular Properties

Compound Name4-bromo-3-chloro-2-fluoro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine
PubChem CID167037501
Molecular FormulaC10H10BrClFNO
Molecular Weight294.55 g/mol
Exact Mass292.96
IUPAC Name4-bromo-3-chloro-2-fluoro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine
SMILESCC1(C)Cc2nc(F)c(Cl)c(Br)c2CO1
InChIInChI=1S/C10H10BrClFNO/c1-10(2)3-6-5(4-15-10)7(11)8(12)9(13)14-6/h3-4H2,1-2H3
InChIKeyCPZXJLYWJBBOJG-UHFFFAOYSA-N
XLogP3.49
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.55
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-3-chloro-2-fluoro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

6-Chloro-8-isopropyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 3534004
8-butyl-6-chloro-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 3100956
3-Chloro-2-fluoro-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine
CID 167037503
6-chloro-3,3,8-trimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 756820
6-chloro-8-cyclopropyl-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 86727215
2-Chloro-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-B]pyridine
CID 165117617
2,4-Dichloro-3,7,7-trimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine
CID 167037212
4-bromo-2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine
CID 178157355
6-chloro-3,3-dimethyl-8-(2-methylpropyl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 911449
5-Chloro-3,3-dimethyl-6-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile
CID 23938150
2-Chloro-4-ethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 97618329
2-Chloro-4-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 97618330

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-2-fluoro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine?
The IUPAC name of 4-bromo-3-chloro-2-fluoro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine (CID 167037501) is 4-bromo-3-chloro-2-fluoro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine.
What is the SMILES notation for 4-bromo-3-chloro-2-fluoro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine?
The canonical SMILES for 4-bromo-3-chloro-2-fluoro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine is CC1(C)Cc2nc(F)c(Cl)c(Br)c2CO1.
What is the InChIKey of 4-bromo-3-chloro-2-fluoro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine?
The InChIKey is CPZXJLYWJBBOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClFNO/c1-10(2)3-6-5(4-15-10)7(11)8(12)9(13)14-6/h3-4H2,1-2H3.
What are the key properties of 4-bromo-3-chloro-2-fluoro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine?
4-bromo-3-chloro-2-fluoro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine has a molecular weight of 294.55 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-2-fluoro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine is sourced from PubChem (CID 167037501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).