3-[(5-bromo-2-pyridinyl)amino]-2,2-difluoropropan-1-ol

C8H9BrF2N2O — CID 104858418

IUPAC3-[(5-bromo-2-pyridinyl)amino]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNc1ccc(Br)cn1
InChIInChI=1S/C8H9BrF2N2O/c9-6-1-2-7(12-3-6)13-4-8(10,11)5-14/h1-3,14H,4-5H2,(H,12,13)
InChIKeyQSFWJABBUPOMMO-UHFFFAOYSA-N
MW267.07 g/mol
LogP1.88
Rot. Bonds4

About 3-[(5-bromo-2-pyridinyl)amino]-2,2-difluoropropan-1-ol

3-[(5-bromo-2-pyridinyl)amino]-2,2-difluoropropan-1-ol (PubChem CID 104858418) has the molecular formula C8H9BrF2N2O and a molecular weight of 267.07 g/mol. Its IUPAC name is 3-[(5-bromo-2-pyridinyl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(5-bromo-2-pyridinyl)amino]-2,2-difluoropropan-1-ol
PubChem CID104858418
Molecular FormulaC8H9BrF2N2O
Molecular Weight267.07 g/mol
Exact Mass265.99
IUPAC Name3-[(5-bromo-2-pyridinyl)amino]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNc1ccc(Br)cn1
InChIInChI=1S/C8H9BrF2N2O/c9-6-1-2-7(12-3-6)13-4-8(10,11)5-14/h1-3,14H,4-5H2,(H,12,13)
InChIKeyQSFWJABBUPOMMO-UHFFFAOYSA-N
XLogP1.88
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.07
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-Bromopyridin-2-yl)piperazine
CID 16414227
2-Acetamido-5-bromopyridine
CID 293097
2-((Pyridin-2-yl)amino)ethan-1-ol
CID 420844
1-(5-Bromopyridin-2-yl)-3-butylurea
CID 2103155
N-(5-bromo-2-pyridinyl)pentanamide
CID 2292858
1-(3-Bromopyridin-2-yl)piperazine
CID 13298529
N-(5-bromopyridin-2-yl)propanamide
CID 774878
2-(2-Hydroxyethylamino)-pyridine hydrochloride
CID 2827516
2-((5-(Trifluoromethyl)pyridin-2-yl)amino)ethan-1-ol
CID 2986104
N-(5-bromopyridin-2-yl)pent-4-enamide
CID 2265971
(Z)-4-[(5-bromo-2-pyridinyl)amino]-3-chloro-1,1,1-trifluorobut-3-en-2-one
CID 2316123
N-(5-bromo-2-pyridinyl)butanamide
CID 876084

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-pyridinyl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(5-bromo-2-pyridinyl)amino]-2,2-difluoropropan-1-ol (CID 104858418) is 3-[(5-bromo-2-pyridinyl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(5-bromo-2-pyridinyl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(5-bromo-2-pyridinyl)amino]-2,2-difluoropropan-1-ol is OCC(F)(F)CNc1ccc(Br)cn1.
What is the InChIKey of 3-[(5-bromo-2-pyridinyl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is QSFWJABBUPOMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF2N2O/c9-6-1-2-7(12-3-6)13-4-8(10,11)5-14/h1-3,14H,4-5H2,(H,12,13).
What are the key properties of 3-[(5-bromo-2-pyridinyl)amino]-2,2-difluoropropan-1-ol?
3-[(5-bromo-2-pyridinyl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 267.07 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-pyridinyl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104858418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).