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

C8H9BrF2N2O — CID 130107153

IUPAC[6-amino-4-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]methanol
SMILESNc1cc(CBr)c(CO)c(C(F)F)n1
InChIInChI=1S/C8H9BrF2N2O/c9-2-4-1-6(12)13-7(8(10)11)5(4)3-14/h1,8,14H,2-3H2,(H2,12,13)
InChIKeyDQWLAHCRSJPCSI-UHFFFAOYSA-N
MW267.07 g/mol
LogP1.99
Rot. Bonds3

About [6-amino-4-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]methanol

[6-amino-4-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]methanol (PubChem CID 130107153) has the molecular formula C8H9BrF2N2O and a molecular weight of 267.07 g/mol. Its IUPAC name is [6-amino-4-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-amino-4-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]methanol
PubChem CID130107153
Molecular FormulaC8H9BrF2N2O
Molecular Weight267.07 g/mol
Exact Mass265.99
IUPAC Name[6-amino-4-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]methanol
SMILESNc1cc(CBr)c(CO)c(C(F)F)n1
InChIInChI=1S/C8H9BrF2N2O/c9-2-4-1-6(12)13-7(8(10)11)5(4)3-14/h1,8,14H,2-3H2,(H2,12,13)
InChIKeyDQWLAHCRSJPCSI-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

[6-amino-2-(difluoromethyl)-4-iodo-3-pyridinyl]methanol
CID 130105451
4-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 130107064
5-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 130107066
4-(bromomethyl)-5-(difluoromethyl)-6-methylpyridin-2-amine
CID 130106319
[6-(bromomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol
CID 130081832
4-(bromomethyl)-6-(difluoromethyl)-5-nitropyridin-2-amine
CID 130106809
ethyl 6-amino-4-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylate
CID 134683777
[2-amino-5-(bromomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol
CID 119000297
[4-amino-2-(difluoromethyl)-6-iodo-3-pyridinyl]methanol
CID 118850928
[6-amino-3-(difluoromethyl)-2-methyl-4-pyridinyl]methanol
CID 130106484
[6-amino-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 130107727
3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridin-4-amine
CID 130105324

Frequently Asked Questions

What is the IUPAC name of [6-amino-4-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [6-amino-4-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]methanol (CID 130107153) is [6-amino-4-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [6-amino-4-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [6-amino-4-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]methanol is Nc1cc(CBr)c(CO)c(C(F)F)n1.
What is the InChIKey of [6-amino-4-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]methanol?
The InChIKey is DQWLAHCRSJPCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF2N2O/c9-2-4-1-6(12)13-7(8(10)11)5(4)3-14/h1,8,14H,2-3H2,(H2,12,13).
What are the key properties of [6-amino-4-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]methanol?
[6-amino-4-(bromomethyl)-2-(difluoromethyl)-3-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 [6-amino-4-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 130107153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).