6-(5-bromo-4-chloro-3-pyridinyl)-2-methoxypyridine-3-carbaldehyde

C12H8BrClN2O2 — CID 170697655

IUPAC6-(5-bromo-4-chloro-3-pyridinyl)-2-methoxypyridine-3-carbaldehyde
SMILESCOc1nc(-c2cncc(Br)c2Cl)ccc1C=O
InChIInChI=1S/C12H8BrClN2O2/c1-18-12-7(6-17)2-3-10(16-12)8-4-15-5-9(13)11(8)14/h2-6H,1H3
InChIKeyPMPYRHHSLHBGGN-UHFFFAOYSA-N
MW327.57 g/mol
LogP3.38
Rot. Bonds3

About 6-(5-bromo-4-chloro-3-pyridinyl)-2-methoxypyridine-3-carbaldehyde

6-(5-bromo-4-chloro-3-pyridinyl)-2-methoxypyridine-3-carbaldehyde (PubChem CID 170697655) has the molecular formula C12H8BrClN2O2 and a molecular weight of 327.57 g/mol. Its IUPAC name is 6-(5-bromo-4-chloro-3-pyridinyl)-2-methoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(5-bromo-4-chloro-3-pyridinyl)-2-methoxypyridine-3-carbaldehyde
PubChem CID170697655
Molecular FormulaC12H8BrClN2O2
Molecular Weight327.57 g/mol
Exact Mass325.95
IUPAC Name6-(5-bromo-4-chloro-3-pyridinyl)-2-methoxypyridine-3-carbaldehyde
SMILESCOc1nc(-c2cncc(Br)c2Cl)ccc1C=O
InChIInChI=1S/C12H8BrClN2O2/c1-18-12-7(6-17)2-3-10(16-12)8-4-15-5-9(13)11(8)14/h2-6H,1H3
InChIKeyPMPYRHHSLHBGGN-UHFFFAOYSA-N
XLogP3.38
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.57
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-(2-chlorophenyl)-2-methoxypyridine-3-carbaldehyde
CID 175347635
(3-bromo-2-chlorophenyl)boronic acid;6-(3-bromo-2-chlorophenyl)-2-methoxypyridine-3-carbaldehyde;6-chloro-2-methoxypyridine-3-carbaldehyde;6-[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-methoxypyridine-3-carbaldehyde
CID 161371094
6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-methoxyphenyl]-2-methoxypyridine-3-carbaldehyde
CID 175513044
6-[3-[3-chloro-2-(4-formyl-3-methoxyphenyl)-4-pyridinyl]-2-fluorophenyl]-2-methoxypyridine-3-carbaldehyde
CID 170983450
8-[2-chloro-3-[2-chloro-3-(5-formyl-6-methoxy-2-pyridinyl)phenyl]phenyl]-2-methoxy-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 166516587
8-[2-chloro-3-[2-chloro-5-fluoro-3-(5-formyl-6-methoxy-2-pyridinyl)phenyl]phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 166516074
6-[2-chloro-3-[2-chloro-3-(5-ethenyl-6-methoxy-2-pyridinyl)phenyl]phenyl]-1-methylpyrrolo[3,2-b]pyridine-3-carbaldehyde
CID 168723292
tert-butyl N-[[5-[2-chloro-3-[2-chloro-3-(5-formyl-6-methoxy-2-pyridinyl)phenyl]phenyl]-3-methoxypyrazin-2-yl]methyl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate
CID 139429805
6-[2-chloro-3-[3-(4-formyl-3,5-dimethoxyphenyl)-1-methylindazol-7-yl]phenyl]-2-methoxypyridine-3-carbaldehyde
CID 164566277
N-[2-chloro-3-[2-chloro-3-(5-formyl-6-methoxy-2-pyridinyl)phenyl]phenyl]-6-methoxy-2-methyl-3-oxopyridazine-4-carboxamide
CID 168812575
6-[2-chloro-3-[2-chloro-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methoxyphenyl]phenyl]phenyl]-2-methoxypyridine-3-carbaldehyde
CID 146207087
6-(3-bromo-2-chlorophenyl)-4-chloro-2-methoxy-3-methylpyridine
CID 175347776

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-4-chloro-3-pyridinyl)-2-methoxypyridine-3-carbaldehyde?
The IUPAC name of 6-(5-bromo-4-chloro-3-pyridinyl)-2-methoxypyridine-3-carbaldehyde (CID 170697655) is 6-(5-bromo-4-chloro-3-pyridinyl)-2-methoxypyridine-3-carbaldehyde.
What is the SMILES notation for 6-(5-bromo-4-chloro-3-pyridinyl)-2-methoxypyridine-3-carbaldehyde?
The canonical SMILES for 6-(5-bromo-4-chloro-3-pyridinyl)-2-methoxypyridine-3-carbaldehyde is COc1nc(-c2cncc(Br)c2Cl)ccc1C=O.
What is the InChIKey of 6-(5-bromo-4-chloro-3-pyridinyl)-2-methoxypyridine-3-carbaldehyde?
The InChIKey is PMPYRHHSLHBGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O2/c1-18-12-7(6-17)2-3-10(16-12)8-4-15-5-9(13)11(8)14/h2-6H,1H3.
What are the key properties of 6-(5-bromo-4-chloro-3-pyridinyl)-2-methoxypyridine-3-carbaldehyde?
6-(5-bromo-4-chloro-3-pyridinyl)-2-methoxypyridine-3-carbaldehyde has a molecular weight of 327.57 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-4-chloro-3-pyridinyl)-2-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 170697655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).