[2-amino-5-(bromomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol

C8H9BrF2N2O — CID 119000297

IUPAC[2-amino-5-(bromomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol
SMILESNc1ncc(CBr)c(CO)c1C(F)F
InChIInChI=1S/C8H9BrF2N2O/c9-1-4-2-13-8(12)6(7(10)11)5(4)3-14/h2,7,14H,1,3H2,(H2,12,13)
InChIKeyFCAACNOPFDRWGD-UHFFFAOYSA-N
MW267.07 g/mol
LogP1.99
Rot. Bonds3

About [2-amino-5-(bromomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol

[2-amino-5-(bromomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol (PubChem CID 119000297) has the molecular formula C8H9BrF2N2O and a molecular weight of 267.07 g/mol. Its IUPAC name is [2-amino-5-(bromomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-amino-5-(bromomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol
PubChem CID119000297
Molecular FormulaC8H9BrF2N2O
Molecular Weight267.07 g/mol
Exact Mass265.99
IUPAC Name[2-amino-5-(bromomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol
SMILESNc1ncc(CBr)c(CO)c1C(F)F
InChIInChI=1S/C8H9BrF2N2O/c9-1-4-2-13-8(12)6(7(10)11)5(4)3-14/h2,7,14H,1,3H2,(H2,12,13)
InChIKeyFCAACNOPFDRWGD-UHFFFAOYSA-N
XLogP1.99
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.07
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[2-amino-5-bromo-3-(difluoromethyl)-4-pyridinyl]methanol
CID 130102040
[6-amino-4-bromo-5-(difluoromethyl)-3-pyridinyl]methanol
CID 118991598
2-amino-5-(bromomethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde
CID 119003621
[3-amino-5-(bromomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
CID 130107173
[4-amino-6-(bromomethyl)-5-(difluoromethyl)-3-pyridinyl]methanol
CID 130107177
3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine
CID 118992544
[6-amino-4-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]methanol
CID 130107153
5-(bromomethyl)-4-(difluoromethyl)-2-fluoropyridin-3-amine
CID 130104035
2-[2-amino-5-(chloromethyl)-3-(difluoromethyl)-4-pyridinyl]acetic acid
CID 119020769
3-(bromomethyl)-5-(difluoromethyl)pyridin-2-amine
CID 119014885
5-(bromomethyl)-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile
CID 130078912
4-amino-5-(bromomethyl)-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130107280

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(bromomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol?
The IUPAC name of [2-amino-5-(bromomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol (CID 119000297) is [2-amino-5-(bromomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol.
What is the SMILES notation for [2-amino-5-(bromomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol?
The canonical SMILES for [2-amino-5-(bromomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol is Nc1ncc(CBr)c(CO)c1C(F)F.
What is the InChIKey of [2-amino-5-(bromomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol?
The InChIKey is FCAACNOPFDRWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF2N2O/c9-1-4-2-13-8(12)6(7(10)11)5(4)3-14/h2,7,14H,1,3H2,(H2,12,13).
What are the key properties of [2-amino-5-(bromomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol?
[2-amino-5-(bromomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol has a molecular weight of 267.07 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-(bromomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol is sourced from PubChem (CID 119000297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).