[2-(3-bromoanilino)-3-pyridinyl]methanol

C12H11BrN2O — CID 82093811

IUPAC[2-(3-bromoanilino)-3-pyridinyl]methanol
SMILESOCc1cccnc1Nc1cccc(Br)c1
InChIInChI=1S/C12H11BrN2O/c13-10-4-1-5-11(7-10)15-12-9(8-16)3-2-6-14-12/h1-7,16H,8H2,(H,14,15)
InChIKeySNIRTFRVGVVSSU-UHFFFAOYSA-N
MW279.14 g/mol
LogP3.08
Rot. Bonds3

About [2-(3-bromoanilino)-3-pyridinyl]methanol

[2-(3-bromoanilino)-3-pyridinyl]methanol (PubChem CID 82093811) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is [2-(3-bromoanilino)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(3-bromoanilino)-3-pyridinyl]methanol
PubChem CID82093811
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name[2-(3-bromoanilino)-3-pyridinyl]methanol
SMILESOCc1cccnc1Nc1cccc(Br)c1
InChIInChI=1S/C12H11BrN2O/c13-10-4-1-5-11(7-10)15-12-9(8-16)3-2-6-14-12/h1-7,16H,8H2,(H,14,15)
InChIKeySNIRTFRVGVVSSU-UHFFFAOYSA-N
XLogP3.08
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,5-dimethylanilino)-3-pyridinyl]methanol
CID 82081347
N-[3-[[3-(hydroxymethyl)-2-pyridinyl]amino]phenyl]acetamide
CID 82089213
[2-(3,4-dichloroanilino)-3-pyridinyl]methanol
CID 14739451
N-benzyl-2-(3-bromoanilino)pyridine-3-carboxamide
CID 23632442
2-fluoro-5-[[3-(hydroxymethyl)-2-pyridinyl]amino]benzonitrile
CID 18956142
2-(3-bromoanilino)-N-(4-bromophenyl)pyridine-3-carboxamide
CID 23632626
3-(3-bromoanilino)pyrazine-2-carboxamide
CID 122372728
1-[3-[[3-(aminomethyl)-2-pyridinyl]amino]phenyl]ethanone
CID 82084693
[2-(3-bromophenoxy)-3-pyridinyl]methanol
CID 61258163
2-(3-bromoanilino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 23632949
[2-(ethylamino)-3-pyridinyl]methanol
CID 62464975
6-N-(3-bromophenyl)-4-N-(2-chloro-3-pyridinyl)pyrimidine-4,5,6-triamine
CID 19152998

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromoanilino)-3-pyridinyl]methanol?
The IUPAC name of [2-(3-bromoanilino)-3-pyridinyl]methanol (CID 82093811) is [2-(3-bromoanilino)-3-pyridinyl]methanol.
What is the SMILES notation for [2-(3-bromoanilino)-3-pyridinyl]methanol?
The canonical SMILES for [2-(3-bromoanilino)-3-pyridinyl]methanol is OCc1cccnc1Nc1cccc(Br)c1.
What is the InChIKey of [2-(3-bromoanilino)-3-pyridinyl]methanol?
The InChIKey is SNIRTFRVGVVSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c13-10-4-1-5-11(7-10)15-12-9(8-16)3-2-6-14-12/h1-7,16H,8H2,(H,14,15).
What are the key properties of [2-(3-bromoanilino)-3-pyridinyl]methanol?
[2-(3-bromoanilino)-3-pyridinyl]methanol has a molecular weight of 279.14 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromoanilino)-3-pyridinyl]methanol is sourced from PubChem (CID 82093811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).