(3-amino-2-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol

C14H11BrFN3O — CID 68668956

IUPAC(3-amino-2-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
SMILESNc1cccc(C(O)c2c[nH]c3ncc(Br)cc23)c1F
InChIInChI=1S/C14H11BrFN3O/c15-7-4-9-10(6-19-14(9)18-5-7)13(20)8-2-1-3-11(17)12(8)16/h1-6,13,20H,17H2,(H,18,19)
InChIKeyOZNKMIQFRZJIAN-UHFFFAOYSA-N
MW336.16 g/mol
LogP3.13
Rot. Bonds2

About (3-amino-2-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol

(3-amino-2-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol (PubChem CID 68668956) has the molecular formula C14H11BrFN3O and a molecular weight of 336.16 g/mol. Its IUPAC name is (3-amino-2-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol.

Molecular Properties

Compound Name(3-amino-2-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
PubChem CID68668956
Molecular FormulaC14H11BrFN3O
Molecular Weight336.16 g/mol
Exact Mass335.01
IUPAC Name(3-amino-2-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
SMILESNc1cccc(C(O)c2c[nH]c3ncc(Br)cc23)c1F
InChIInChI=1S/C14H11BrFN3O/c15-7-4-9-10(6-19-14(9)18-5-7)13(20)8-2-1-3-11(17)12(8)16/h1-6,13,20H,17H2,(H,18,19)
InChIKeyOZNKMIQFRZJIAN-UHFFFAOYSA-N
XLogP3.13
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.16
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2-fluorophenyl]propane-1-sulfonamide
CID 172729136
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,2-difluoro-1,3-benzodioxol-4-yl)methanol
CID 58086501
1-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]propane-1-sulfonamide
CID 172727152
(3-amino-2,6-difluorophenyl)-(5-anilino-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
CID 68669013
N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]-2-methylpropane-1-sulfonamide
CID 59569597
3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)oxy]-2,4-difluoroaniline
CID 146501921
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2-fluoro-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]methanol
CID 123677677
(3-amino-6-chloro-2-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 68751735
5-bromo-3-butan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 139023960
1,5-dibromo-2,4-bis(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-3-one
CID 151661329
3-[(2,6-difluorophenyl)-hydroxymethyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 141279866
methyl 3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-4-chloro-5-methoxybenzoate
CID 146304303

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
The IUPAC name of (3-amino-2-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol (CID 68668956) is (3-amino-2-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol.
What is the SMILES notation for (3-amino-2-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
The canonical SMILES for (3-amino-2-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol is Nc1cccc(C(O)c2c[nH]c3ncc(Br)cc23)c1F.
What is the InChIKey of (3-amino-2-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
The InChIKey is OZNKMIQFRZJIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3O/c15-7-4-9-10(6-19-14(9)18-5-7)13(20)8-2-1-3-11(17)12(8)16/h1-6,13,20H,17H2,(H,18,19).
What are the key properties of (3-amino-2-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol?
(3-amino-2-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol has a molecular weight of 336.16 g/mol, XLogP of 3.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol is sourced from PubChem (CID 68668956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).