[6-amino-4-bromo-5-(difluoromethyl)-3-pyridinyl]methanol

C7H7BrF2N2O — CID 118991598

IUPAC[6-amino-4-bromo-5-(difluoromethyl)-3-pyridinyl]methanol
SMILESNc1ncc(CO)c(Br)c1C(F)F
InChIInChI=1S/C7H7BrF2N2O/c8-5-3(2-13)1-12-7(11)4(5)6(9)10/h1,6,13H,2H2,(H2,11,12)
InChIKeyFZWUPERUBBQBBP-UHFFFAOYSA-N
MW253.05 g/mol
LogP1.86
Rot. Bonds2

About [6-amino-4-bromo-5-(difluoromethyl)-3-pyridinyl]methanol

[6-amino-4-bromo-5-(difluoromethyl)-3-pyridinyl]methanol (PubChem CID 118991598) has the molecular formula C7H7BrF2N2O and a molecular weight of 253.05 g/mol. Its IUPAC name is [6-amino-4-bromo-5-(difluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-amino-4-bromo-5-(difluoromethyl)-3-pyridinyl]methanol
PubChem CID118991598
Molecular FormulaC7H7BrF2N2O
Molecular Weight253.05 g/mol
Exact Mass251.97
IUPAC Name[6-amino-4-bromo-5-(difluoromethyl)-3-pyridinyl]methanol
SMILESNc1ncc(CO)c(Br)c1C(F)F
InChIInChI=1S/C7H7BrF2N2O/c8-5-3(2-13)1-12-7(11)4(5)6(9)10/h1,6,13H,2H2,(H2,11,12)
InChIKeyFZWUPERUBBQBBP-UHFFFAOYSA-N
XLogP1.86
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.05
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-amino-5-(bromomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol
CID 119000297
[2-amino-5-bromo-3-(difluoromethyl)-4-pyridinyl]methanol
CID 130102040
3-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine
CID 130101929
6-amino-4-bromo-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 118994678
[4-bromo-5-chloro-6-(difluoromethyl)-3-pyridinyl]methanol
CID 118845394
[4-amino-6-(bromomethyl)-5-(difluoromethyl)-3-pyridinyl]methanol
CID 130107177
6-amino-4-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130102239
[6-bromo-4-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
CID 118999574
2-[6-amino-5-bromo-4-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 119024402
[5-(aminomethyl)-3-bromo-2-(difluoromethyl)-4-pyridinyl]methanol
CID 130070086
5-bromo-3-(difluoromethyl)-4-fluoropyridin-2-amine
CID 119016781
2-amino-5-(bromomethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde
CID 119003621

Frequently Asked Questions

What is the IUPAC name of [6-amino-4-bromo-5-(difluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [6-amino-4-bromo-5-(difluoromethyl)-3-pyridinyl]methanol (CID 118991598) is [6-amino-4-bromo-5-(difluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [6-amino-4-bromo-5-(difluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [6-amino-4-bromo-5-(difluoromethyl)-3-pyridinyl]methanol is Nc1ncc(CO)c(Br)c1C(F)F.
What is the InChIKey of [6-amino-4-bromo-5-(difluoromethyl)-3-pyridinyl]methanol?
The InChIKey is FZWUPERUBBQBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF2N2O/c8-5-3(2-13)1-12-7(11)4(5)6(9)10/h1,6,13H,2H2,(H2,11,12).
What are the key properties of [6-amino-4-bromo-5-(difluoromethyl)-3-pyridinyl]methanol?
[6-amino-4-bromo-5-(difluoromethyl)-3-pyridinyl]methanol has a molecular weight of 253.05 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-amino-4-bromo-5-(difluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 118991598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).