(5-amino-3-pyridinyl)-phenylmethanol;5-benzylpyridin-3-amine;(5-bromo-3-pyridinyl)-phenylmethanol;3,5-dibromopyridine

C41H37Br3N6O2 — CID 157368415

IUPAC(5-amino-3-pyridinyl)-phenylmethanol;5-benzylpyridin-3-amine;(5-bromo-3-pyridinyl)-phenylmethanol;3,5-dibromopyridine
SMILESBrc1cncc(Br)c1.Nc1cncc(C(O)c2ccccc2)c1.Nc1cncc(Cc2ccccc2)c1.OC(c1ccccc1)c1cncc(Br)c1
InChIInChI=1S/C12H10BrNO.C12H12N2O.C12H12N2.C5H3Br2N/c2*13-11-6-10(7-14-8-11)12(15)9-4-2-1-3-5-9;13-12-7-11(8-14-9-12)6-10-4-2-1-3-5-10;6-4-1-5(7)3-8-2-4/h1-8,12,15H;1-8,12,15H,13H2;1-5,7-9H,6,13H2;1-3H
InChIKeyBJLQRINPWFGPLZ-UHFFFAOYSA-N
MW885.50 g/mol
LogP9.53
Rot. Bonds6

About (5-amino-3-pyridinyl)-phenylmethanol;5-benzylpyridin-3-amine;(5-bromo-3-pyridinyl)-phenylmethanol;3,5-dibromopyridine

(5-amino-3-pyridinyl)-phenylmethanol;5-benzylpyridin-3-amine;(5-bromo-3-pyridinyl)-phenylmethanol;3,5-dibromopyridine (PubChem CID 157368415) has the molecular formula C41H37Br3N6O2 and a molecular weight of 885.50 g/mol. Its IUPAC name is (5-amino-3-pyridinyl)-phenylmethanol;5-benzylpyridin-3-amine;(5-bromo-3-pyridinyl)-phenylmethanol;3,5-dibromopyridine.

Molecular Properties

Compound Name(5-amino-3-pyridinyl)-phenylmethanol;5-benzylpyridin-3-amine;(5-bromo-3-pyridinyl)-phenylmethanol;3,5-dibromopyridine
PubChem CID157368415
Molecular FormulaC41H37Br3N6O2
Molecular Weight885.50 g/mol
Exact Mass882.05
IUPAC Name(5-amino-3-pyridinyl)-phenylmethanol;5-benzylpyridin-3-amine;(5-bromo-3-pyridinyl)-phenylmethanol;3,5-dibromopyridine
SMILESBrc1cncc(Br)c1.Nc1cncc(C(O)c2ccccc2)c1.Nc1cncc(Cc2ccccc2)c1.OC(c1ccccc1)c1cncc(Br)c1
InChIInChI=1S/C12H10BrNO.C12H12N2O.C12H12N2.C5H3Br2N/c2*13-11-6-10(7-14-8-11)12(15)9-4-2-1-3-5-9;13-12-7-11(8-14-9-12)6-10-4-2-1-3-5-10;6-4-1-5(7)3-8-2-4/h1-8,12,15H;1-8,12,15H,13H2;1-5,7-9H,6,13H2;1-3H
InChIKeyBJLQRINPWFGPLZ-UHFFFAOYSA-N
XLogP9.53
TPSA144.06 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.50
LogP ≤ 59.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

2-[1-[(5-Bromo-3-pyridinyl)amino]ethyl]-4-fluorophenol;2-[[(5-bromo-3-pyridinyl)amino]methyl]-4,6-difluorophenol;2-[1-[(5-bromo-3-pyridinyl)amino]propyl]phenol
CID 157510155
4-(Bromomethyl)-2-[4-(bromomethyl)-2-pyridinyl]pyridine;[2-[4-(hydroxymethyl)-2-pyridinyl]-4-pyridinyl]methanol
CID 158016356
(5-Amino-3-pyridinyl)-phenylmethanol;5-benzylpyridin-3-amine;(5-bromo-3-pyridinyl)-phenylmethanol;3,5-dibromopyridine;methane
CID 158786915
Bis(3-bromo-5-(2-methoxypropan-2-yl)pyridine);2-(5-bromo-3-pyridinyl)propan-2-ol;3-isocyano-5-(2-methoxypropan-2-yl)pyridine;methane;oxolane
CID 159122934
3-Bromopyridine;3-ethenylpyridine;1-piperidin-3-ylethane-1,2-diol;1-pyridin-3-ylethane-1,2-diol
CID 160329997
CID 161093661
CID 161093661
2-Bromo-3-(methoxymethyl)pyridine;2-bromo-5-(methoxymethyl)pyridine;3-bromo-5-(methoxymethyl)pyridine;3-[methoxy(phenyl)methyl]pyridine;3-[methoxy(pyridin-3-yl)methyl]pyridine
CID 167691295
[1-(5-Bromo-3-pyridinyl)piperidin-4-yl]-phenylmethanol
CID 133296143

Frequently Asked Questions

What is the IUPAC name of (5-amino-3-pyridinyl)-phenylmethanol;5-benzylpyridin-3-amine;(5-bromo-3-pyridinyl)-phenylmethanol;3,5-dibromopyridine?
The IUPAC name of (5-amino-3-pyridinyl)-phenylmethanol;5-benzylpyridin-3-amine;(5-bromo-3-pyridinyl)-phenylmethanol;3,5-dibromopyridine (CID 157368415) is (5-amino-3-pyridinyl)-phenylmethanol;5-benzylpyridin-3-amine;(5-bromo-3-pyridinyl)-phenylmethanol;3,5-dibromopyridine.
What is the SMILES notation for (5-amino-3-pyridinyl)-phenylmethanol;5-benzylpyridin-3-amine;(5-bromo-3-pyridinyl)-phenylmethanol;3,5-dibromopyridine?
The canonical SMILES for (5-amino-3-pyridinyl)-phenylmethanol;5-benzylpyridin-3-amine;(5-bromo-3-pyridinyl)-phenylmethanol;3,5-dibromopyridine is Brc1cncc(Br)c1.Nc1cncc(C(O)c2ccccc2)c1.Nc1cncc(Cc2ccccc2)c1.OC(c1ccccc1)c1cncc(Br)c1.
What is the InChIKey of (5-amino-3-pyridinyl)-phenylmethanol;5-benzylpyridin-3-amine;(5-bromo-3-pyridinyl)-phenylmethanol;3,5-dibromopyridine?
The InChIKey is BJLQRINPWFGPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO.C12H12N2O.C12H12N2.C5H3Br2N/c2*13-11-6-10(7-14-8-11)12(15)9-4-2-1-3-5-9;13-12-7-11(8-14-9-12)6-10-4-2-1-3-5-10;6-4-1-5(7)3-8-2-4/h1-8,12,15H;1-8,12,15H,13H2;1-5,7-9H,6,13H2;1-3H.
What are the key properties of (5-amino-3-pyridinyl)-phenylmethanol;5-benzylpyridin-3-amine;(5-bromo-3-pyridinyl)-phenylmethanol;3,5-dibromopyridine?
(5-amino-3-pyridinyl)-phenylmethanol;5-benzylpyridin-3-amine;(5-bromo-3-pyridinyl)-phenylmethanol;3,5-dibromopyridine has a molecular weight of 885.50 g/mol, XLogP of 9.53, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-pyridinyl)-phenylmethanol;5-benzylpyridin-3-amine;(5-bromo-3-pyridinyl)-phenylmethanol;3,5-dibromopyridine is sourced from PubChem (CID 157368415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).