[3-(aminomethyl)-2-bromo-6-(difluoromethyl)-4-pyridinyl]methanol

C8H9BrF2N2O — CID 130070073

IUPAC[3-(aminomethyl)-2-bromo-6-(difluoromethyl)-4-pyridinyl]methanol
SMILESNCc1c(CO)cc(C(F)F)nc1Br
InChIInChI=1S/C8H9BrF2N2O/c9-7-5(2-12)4(3-14)1-6(13-7)8(10)11/h1,8,14H,2-3,12H2
InChIKeyBYIHGIIIAREKOP-UHFFFAOYSA-N
MW267.07 g/mol
LogP1.73
Rot. Bonds3

About [3-(aminomethyl)-2-bromo-6-(difluoromethyl)-4-pyridinyl]methanol

[3-(aminomethyl)-2-bromo-6-(difluoromethyl)-4-pyridinyl]methanol (PubChem CID 130070073) has the molecular formula C8H9BrF2N2O and a molecular weight of 267.07 g/mol. Its IUPAC name is [3-(aminomethyl)-2-bromo-6-(difluoromethyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(aminomethyl)-2-bromo-6-(difluoromethyl)-4-pyridinyl]methanol
PubChem CID130070073
Molecular FormulaC8H9BrF2N2O
Molecular Weight267.07 g/mol
Exact Mass265.99
IUPAC Name[3-(aminomethyl)-2-bromo-6-(difluoromethyl)-4-pyridinyl]methanol
SMILESNCc1c(CO)cc(C(F)F)nc1Br
InChIInChI=1S/C8H9BrF2N2O/c9-7-5(2-12)4(3-14)1-6(13-7)8(10)11/h1,8,14H,2-3,12H2
InChIKeyBYIHGIIIAREKOP-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[3-(aminomethyl)-2-bromo-6-(difluoromethyl)-4-pyridinyl]acetic acid
CID 134673859
2-[4-(aminomethyl)-2-bromo-6-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118812910
4-(aminomethyl)-2-bromo-6-(difluoromethyl)pyridin-3-amine
CID 130101865
[2-bromo-6-(difluoromethyl)-3-iodo-4-pyridinyl]methanamine
CID 130068220
[2-bromo-6-(difluoromethyl)-4-methyl-3-pyridinyl]methanol
CID 119006188
[3-(bromomethyl)-6-(difluoromethyl)-2-iodo-4-pyridinyl]methanol
CID 130087148
methyl 2-[4-(aminomethyl)-2-bromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134667557
[2-bromo-6-(difluoromethyl)-3-pyridinyl]methanamine
CID 130095088
[2-(bromomethyl)-6-(difluoromethyl)-3-methyl-4-pyridinyl]methanol
CID 118843989
[2,6-dibromo-5-(difluoromethyl)-3-pyridinyl]methanol
CID 119006650
4-(bromomethyl)-6-(difluoromethyl)-3-iodopyridin-2-amine
CID 119010652
4-(aminomethyl)-2-chloro-6-(difluoromethyl)pyridin-3-ol
CID 130072411

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-2-bromo-6-(difluoromethyl)-4-pyridinyl]methanol?
The IUPAC name of [3-(aminomethyl)-2-bromo-6-(difluoromethyl)-4-pyridinyl]methanol (CID 130070073) is [3-(aminomethyl)-2-bromo-6-(difluoromethyl)-4-pyridinyl]methanol.
What is the SMILES notation for [3-(aminomethyl)-2-bromo-6-(difluoromethyl)-4-pyridinyl]methanol?
The canonical SMILES for [3-(aminomethyl)-2-bromo-6-(difluoromethyl)-4-pyridinyl]methanol is NCc1c(CO)cc(C(F)F)nc1Br.
What is the InChIKey of [3-(aminomethyl)-2-bromo-6-(difluoromethyl)-4-pyridinyl]methanol?
The InChIKey is BYIHGIIIAREKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF2N2O/c9-7-5(2-12)4(3-14)1-6(13-7)8(10)11/h1,8,14H,2-3,12H2.
What are the key properties of [3-(aminomethyl)-2-bromo-6-(difluoromethyl)-4-pyridinyl]methanol?
[3-(aminomethyl)-2-bromo-6-(difluoromethyl)-4-pyridinyl]methanol has a molecular weight of 267.07 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-2-bromo-6-(difluoromethyl)-4-pyridinyl]methanol is sourced from PubChem (CID 130070073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).