3-[4-(3-bromophenyl)-3-pyridinyl]propan-1-ol

C14H14BrNO — CID 170887627

IUPAC3-[4-(3-bromophenyl)-3-pyridinyl]propan-1-ol
SMILESOCCCc1cnccc1-c1cccc(Br)c1
InChIInChI=1S/C14H14BrNO/c15-13-5-1-3-11(9-13)14-6-7-16-10-12(14)4-2-8-17/h1,3,5-7,9-10,17H,2,4,8H2
InChIKeyDYAPNHNJAHDRCW-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.44
Rot. Bonds4

About 3-[4-(3-bromophenyl)-3-pyridinyl]propan-1-ol

3-[4-(3-bromophenyl)-3-pyridinyl]propan-1-ol (PubChem CID 170887627) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 3-[4-(3-bromophenyl)-3-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(3-bromophenyl)-3-pyridinyl]propan-1-ol
PubChem CID170887627
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name3-[4-(3-bromophenyl)-3-pyridinyl]propan-1-ol
SMILESOCCCc1cnccc1-c1cccc(Br)c1
InChIInChI=1S/C14H14BrNO/c15-13-5-1-3-11(9-13)14-6-7-16-10-12(14)4-2-8-17/h1,3,5-7,9-10,17H,2,4,8H2
InChIKeyDYAPNHNJAHDRCW-UHFFFAOYSA-N
XLogP3.44
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-bromophenyl)-3-ethylpyridine
CID 118884339
1-[4-(3-bromophenyl)-3-pyridinyl]butan-2-amine
CID 170888745
[2-(3-bromophenyl)phenyl]methanol
CID 1393420
3-[4-(3-bromophenyl)-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170880494
(2R)-2-amino-2-[4-(3-bromophenyl)-3-pyridinyl]acetic acid
CID 165346016
(E)-3-[4-(3-bromophenyl)-3-pyridinyl]-2-methylprop-2-enoic acid
CID 170873379
3-(bromomethyl)-4-(3-methoxyphenyl)pyridine
CID 115824632
3-(chloromethyl)-4-phenylpyridine
CID 130967396
6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911352
1-[4-(4-bromophenyl)-3-pyridinyl]but-3-en-2-one
CID 67851022
4-(3-bromophenyl)-2-(4-ethyl-3-pyridinyl)-1,3-thiazole
CID 91360116
4-[6-[[4-(3-bromophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24911358

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-bromophenyl)-3-pyridinyl]propan-1-ol?
The IUPAC name of 3-[4-(3-bromophenyl)-3-pyridinyl]propan-1-ol (CID 170887627) is 3-[4-(3-bromophenyl)-3-pyridinyl]propan-1-ol.
What is the SMILES notation for 3-[4-(3-bromophenyl)-3-pyridinyl]propan-1-ol?
The canonical SMILES for 3-[4-(3-bromophenyl)-3-pyridinyl]propan-1-ol is OCCCc1cnccc1-c1cccc(Br)c1.
What is the InChIKey of 3-[4-(3-bromophenyl)-3-pyridinyl]propan-1-ol?
The InChIKey is DYAPNHNJAHDRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c15-13-5-1-3-11(9-13)14-6-7-16-10-12(14)4-2-8-17/h1,3,5-7,9-10,17H,2,4,8H2.
What are the key properties of 3-[4-(3-bromophenyl)-3-pyridinyl]propan-1-ol?
3-[4-(3-bromophenyl)-3-pyridinyl]propan-1-ol has a molecular weight of 292.18 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-bromophenyl)-3-pyridinyl]propan-1-ol is sourced from PubChem (CID 170887627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).