4-bromo-2-(3-chloro-4-pyridinyl)phenol;4-(5-bromo-2-methoxyphenyl)-3-chloropyridine

C23H16Br2Cl2N2O2 — CID 157285790

IUPAC4-bromo-2-(3-chloro-4-pyridinyl)phenol;4-(5-bromo-2-methoxyphenyl)-3-chloropyridine
SMILESCOc1ccc(Br)cc1-c1ccncc1Cl.Oc1ccc(Br)cc1-c1ccncc1Cl
InChIInChI=1S/C12H9BrClNO.C11H7BrClNO/c1-16-12-3-2-8(13)6-10(12)9-4-5-15-7-11(9)14;12-7-1-2-11(15)9(5-7)8-3-4-14-6-10(8)13/h2-7H,1H3;1-6,15H
InChIKeyBAFHNDPZPNCIMX-UHFFFAOYSA-N
MW583.11 g/mol
LogP8.04
Rot. Bonds3

About 4-bromo-2-(3-chloro-4-pyridinyl)phenol;4-(5-bromo-2-methoxyphenyl)-3-chloropyridine

4-bromo-2-(3-chloro-4-pyridinyl)phenol;4-(5-bromo-2-methoxyphenyl)-3-chloropyridine (PubChem CID 157285790) has the molecular formula C23H16Br2Cl2N2O2 and a molecular weight of 583.11 g/mol. Its IUPAC name is 4-bromo-2-(3-chloro-4-pyridinyl)phenol;4-(5-bromo-2-methoxyphenyl)-3-chloropyridine.

Molecular Properties

Compound Name4-bromo-2-(3-chloro-4-pyridinyl)phenol;4-(5-bromo-2-methoxyphenyl)-3-chloropyridine
PubChem CID157285790
Molecular FormulaC23H16Br2Cl2N2O2
Molecular Weight583.11 g/mol
Exact Mass579.90
IUPAC Name4-bromo-2-(3-chloro-4-pyridinyl)phenol;4-(5-bromo-2-methoxyphenyl)-3-chloropyridine
SMILESCOc1ccc(Br)cc1-c1ccncc1Cl.Oc1ccc(Br)cc1-c1ccncc1Cl
InChIInChI=1S/C12H9BrClNO.C11H7BrClNO/c1-16-12-3-2-8(13)6-10(12)9-4-5-15-7-11(9)14;12-7-1-2-11(15)9(5-7)8-3-4-14-6-10(8)13/h2-7H,1H3;1-6,15H
InChIKeyBAFHNDPZPNCIMX-UHFFFAOYSA-N
XLogP8.04
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.11
LogP ≤ 58.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Sodium;5-bromo-2-chloropyridine;5-bromo-2-[2,2,2-trifluoro-1-(2-fluorophenyl)ethoxy]pyridine;deuterio(fluoro)methane;hydride;2,2,2-trifluoro-1-(2-fluorophenyl)ethanol
CID 157545072
2-[2-Bromo-6-[4-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]phenoxy]-3-chloro-5-(trifluoromethyl)pyridine
CID 173353379
3-Bromo-4-[3-bromo-5-(2-methoxyphenyl)-4-pyridinyl]-5-(2-methoxyphenyl)pyridine
CID 57342780
5-Bromo-4-(5-bromo-2-chloro-4-pyridinyl)-2-chloro-3-(4-methoxyphenyl)pyridine
CID 71817753
11,23-Dibromo-26,28-dipyridin-2-yloxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene-25,27-diol
CID 134864370
1-[[5-Bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-(2-pyridinyloxy)piperidine
CID 11397652
(5Z)-8-bromo-5-[3-[4-(4-chlorophenyl)piperidin-1-yl]propylidene]-6H-[1]benzoxepino[2,3-b]pyridine
CID 18675735
1-[(3Z)-3-(8-bromo-6H-[1]benzoxepino[2,3-b]pyridin-5-ylidene)propyl]-4-(4-chlorophenyl)piperidin-4-ol
CID 18675751
1-[(3Z)-3-(7-bromo-6H-[1]benzoxepino[2,3-b]pyridin-5-ylidene)propyl]-4-(4-chlorophenyl)piperidin-4-ol
CID 18675779
4-[2-(Benzyloxy)-5-chlorophenyl]-3-bromopyridine
CID 59840798
1-[3-(8-Bromo-5,11-dihydro[1]benzoxepino[2,3-b]pyridin-5-ylidene)propyl]-4-(4-chlorophenyl)piperidine
CID 66758102
1-[3-(7-bromo-6H-[1]benzoxepino[2,3-b]pyridin-5-ylidene)propyl]-4-(4-chlorophenyl)piperidin-4-ol
CID 66758276

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-chloro-4-pyridinyl)phenol;4-(5-bromo-2-methoxyphenyl)-3-chloropyridine?
The IUPAC name of 4-bromo-2-(3-chloro-4-pyridinyl)phenol;4-(5-bromo-2-methoxyphenyl)-3-chloropyridine (CID 157285790) is 4-bromo-2-(3-chloro-4-pyridinyl)phenol;4-(5-bromo-2-methoxyphenyl)-3-chloropyridine.
What is the SMILES notation for 4-bromo-2-(3-chloro-4-pyridinyl)phenol;4-(5-bromo-2-methoxyphenyl)-3-chloropyridine?
The canonical SMILES for 4-bromo-2-(3-chloro-4-pyridinyl)phenol;4-(5-bromo-2-methoxyphenyl)-3-chloropyridine is COc1ccc(Br)cc1-c1ccncc1Cl.Oc1ccc(Br)cc1-c1ccncc1Cl.
What is the InChIKey of 4-bromo-2-(3-chloro-4-pyridinyl)phenol;4-(5-bromo-2-methoxyphenyl)-3-chloropyridine?
The InChIKey is BAFHNDPZPNCIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO.C11H7BrClNO/c1-16-12-3-2-8(13)6-10(12)9-4-5-15-7-11(9)14;12-7-1-2-11(15)9(5-7)8-3-4-14-6-10(8)13/h2-7H,1H3;1-6,15H.
What are the key properties of 4-bromo-2-(3-chloro-4-pyridinyl)phenol;4-(5-bromo-2-methoxyphenyl)-3-chloropyridine?
4-bromo-2-(3-chloro-4-pyridinyl)phenol;4-(5-bromo-2-methoxyphenyl)-3-chloropyridine has a molecular weight of 583.11 g/mol, XLogP of 8.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-chloro-4-pyridinyl)phenol;4-(5-bromo-2-methoxyphenyl)-3-chloropyridine is sourced from PubChem (CID 157285790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).