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

C8H9BrF2N2O — CID 130107173

IUPAC[3-amino-5-(bromomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
SMILESNc1c(CO)ncc(CBr)c1C(F)F
InChIInChI=1S/C8H9BrF2N2O/c9-1-4-2-13-5(3-14)7(12)6(4)8(10)11/h2,8,14H,1,3,12H2
InChIKeyAXRMPAMSCJFNGT-UHFFFAOYSA-N
MW267.07 g/mol
LogP1.99
Rot. Bonds3

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

[3-amino-5-(bromomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol (PubChem CID 130107173) has the molecular formula C8H9BrF2N2O and a molecular weight of 267.07 g/mol. Its IUPAC name is [3-amino-5-(bromomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-amino-5-(bromomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
PubChem CID130107173
Molecular FormulaC8H9BrF2N2O
Molecular Weight267.07 g/mol
Exact Mass265.99
IUPAC Name[3-amino-5-(bromomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
SMILESNc1c(CO)ncc(CBr)c1C(F)F
InChIInChI=1S/C8H9BrF2N2O/c9-1-4-2-13-5(3-14)7(12)6(4)8(10)11/h2,8,14H,1,3,12H2
InChIKeyAXRMPAMSCJFNGT-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

[4-amino-6-(bromomethyl)-5-(difluoromethyl)-3-pyridinyl]methanol
CID 130107177
5-(bromomethyl)-4-(difluoromethyl)-2-fluoropyridin-3-amine
CID 130104035
5-(bromomethyl)-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile
CID 130078916
5-(bromomethyl)-4-(difluoromethyl)-2-methoxypyridin-3-amine
CID 130105934
[2-amino-5-(bromomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol
CID 119000297
3-amino-5-(bromomethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107224
4-amino-5-(bromomethyl)-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130107280
[5-amino-4-chloro-3-(difluoromethyl)-2-pyridinyl]methanol
CID 130102835
[6-amino-4-bromo-5-(difluoromethyl)-3-pyridinyl]methanol
CID 118991598
5-amino-2-(bromomethyl)-4-(difluoromethyl)pyridin-3-ol
CID 130104710
[3-amino-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 130107745
[4-(bromomethyl)-3-(difluoromethyl)-6-fluoro-2-pyridinyl]methanol
CID 130081862

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(bromomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [3-amino-5-(bromomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol (CID 130107173) is [3-amino-5-(bromomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [3-amino-5-(bromomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [3-amino-5-(bromomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol is Nc1c(CO)ncc(CBr)c1C(F)F.
What is the InChIKey of [3-amino-5-(bromomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol?
The InChIKey is AXRMPAMSCJFNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF2N2O/c9-1-4-2-13-5(3-14)7(12)6(4)8(10)11/h2,8,14H,1,3,12H2.
What are the key properties of [3-amino-5-(bromomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol?
[3-amino-5-(bromomethyl)-4-(difluoromethyl)-2-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 [3-amino-5-(bromomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 130107173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).