[6-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-chloro-3-pyridinyl]methanol

C18H12BrClN4O — CID 25059130

IUPAC[6-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-chloro-3-pyridinyl]methanol
SMILESOCc1cnc(-c2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)c(Cl)c1
InChIInChI=1S/C18H12BrClN4O/c19-13-6-15-18(22-8-13)24-17(23-15)12-3-1-11(2-4-12)16-14(20)5-10(9-25)7-21-16/h1-8,25H,9H2,(H,22,23,24)
InChIKeyMPPQRGSAPHFKSM-UHFFFAOYSA-N
MW415.68 g/mol
LogP4.60
Rot. Bonds3

About [6-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-chloro-3-pyridinyl]methanol

[6-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-chloro-3-pyridinyl]methanol (PubChem CID 25059130) has the molecular formula C18H12BrClN4O and a molecular weight of 415.68 g/mol. Its IUPAC name is [6-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-chloro-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-chloro-3-pyridinyl]methanol
PubChem CID25059130
Molecular FormulaC18H12BrClN4O
Molecular Weight415.68 g/mol
Exact Mass413.99
IUPAC Name[6-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-chloro-3-pyridinyl]methanol
SMILESOCc1cnc(-c2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)c(Cl)c1
InChIInChI=1S/C18H12BrClN4O/c19-13-6-15-18(22-8-13)24-17(23-15)12-3-1-11(2-4-12)16-14(20)5-10(9-25)7-21-16/h1-8,25H,9H2,(H,22,23,24)
InChIKeyMPPQRGSAPHFKSM-UHFFFAOYSA-N
XLogP4.60
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.68
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine
CID 23025816
2-(4-bromophenyl)-6-chloro-1H-imidazo[4,5-b]pyridine
CID 3266811
4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile
CID 54939914
N-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide
CID 69375665
6-bromo-2-naphthalen-2-yl-1H-imidazo[4,5-b]pyridine
CID 23025864
5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)pyridin-3-amine
CID 63154340
1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-[(3-chlorophenyl)methylamino]propan-2-ol
CID 10074205
2-[4-[5-(bromomethyl)-3-chloro-2-pyridinyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 25061702
6-bromo-2-(3-bromo-5-methylphenyl)-1H-imidazo[4,5-b]pyridine
CID 115999483
N-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-1-phenylmethanimine
CID 110170715
2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]ethanamine
CID 10004038
1-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-3-chloropropan-2-ol;2,2,2-trifluoroacetic acid
CID 69209619

Frequently Asked Questions

What is the IUPAC name of [6-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-chloro-3-pyridinyl]methanol?
The IUPAC name of [6-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-chloro-3-pyridinyl]methanol (CID 25059130) is [6-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-chloro-3-pyridinyl]methanol.
What is the SMILES notation for [6-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-chloro-3-pyridinyl]methanol?
The canonical SMILES for [6-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-chloro-3-pyridinyl]methanol is OCc1cnc(-c2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)c(Cl)c1.
What is the InChIKey of [6-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-chloro-3-pyridinyl]methanol?
The InChIKey is MPPQRGSAPHFKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrClN4O/c19-13-6-15-18(22-8-13)24-17(23-15)12-3-1-11(2-4-12)16-14(20)5-10(9-25)7-21-16/h1-8,25H,9H2,(H,22,23,24).
What are the key properties of [6-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-chloro-3-pyridinyl]methanol?
[6-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-chloro-3-pyridinyl]methanol has a molecular weight of 415.68 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-chloro-3-pyridinyl]methanol is sourced from PubChem (CID 25059130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).