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

C8H9BrF2N2O — CID 130070086

IUPAC[5-(aminomethyl)-3-bromo-2-(difluoromethyl)-4-pyridinyl]methanol
SMILESNCc1cnc(C(F)F)c(Br)c1CO
InChIInChI=1S/C8H9BrF2N2O/c9-6-5(3-14)4(1-12)2-13-7(6)8(10)11/h2,8,14H,1,3,12H2
InChIKeyNJVXDWFCPDRHLB-UHFFFAOYSA-N
MW267.07 g/mol
LogP1.73
Rot. Bonds3

About [5-(aminomethyl)-3-bromo-2-(difluoromethyl)-4-pyridinyl]methanol

[5-(aminomethyl)-3-bromo-2-(difluoromethyl)-4-pyridinyl]methanol (PubChem CID 130070086) has the molecular formula C8H9BrF2N2O and a molecular weight of 267.07 g/mol. Its IUPAC name is [5-(aminomethyl)-3-bromo-2-(difluoromethyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(aminomethyl)-3-bromo-2-(difluoromethyl)-4-pyridinyl]methanol
PubChem CID130070086
Molecular FormulaC8H9BrF2N2O
Molecular Weight267.07 g/mol
Exact Mass265.99
IUPAC Name[5-(aminomethyl)-3-bromo-2-(difluoromethyl)-4-pyridinyl]methanol
SMILESNCc1cnc(C(F)F)c(Br)c1CO
InChIInChI=1S/C8H9BrF2N2O/c9-6-5(3-14)4(1-12)2-13-7(6)8(10)11/h2,8,14H,1,3,12H2
InChIKeyNJVXDWFCPDRHLB-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

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Related Compounds

[5-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 133084455
[4-bromo-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol
CID 118800641
[4,5-diamino-2-(difluoromethyl)-3-pyridinyl]methanol
CID 118818389
5-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridin-3-ol
CID 130110208
[4-bromo-5-chloro-6-(difluoromethyl)-3-pyridinyl]methanol
CID 118845394
5-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130108769
2-[5-(aminomethyl)-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid
CID 133101306
[6-amino-4-bromo-5-(difluoromethyl)-3-pyridinyl]methanol
CID 118991598
[3-(aminomethyl)-2-(difluoromethyl)-5-methoxy-4-pyridinyl]methanol
CID 133084962
ethyl 2-[3-bromo-2-(difluoromethyl)-5-methyl-4-pyridinyl]acetate
CID 134675934
5-(aminomethyl)-2-(difluoromethyl)-4-methylpyridin-3-amine
CID 130106302
[2-amino-5-(bromomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol
CID 119000297

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-3-bromo-2-(difluoromethyl)-4-pyridinyl]methanol?
The IUPAC name of [5-(aminomethyl)-3-bromo-2-(difluoromethyl)-4-pyridinyl]methanol (CID 130070086) is [5-(aminomethyl)-3-bromo-2-(difluoromethyl)-4-pyridinyl]methanol.
What is the SMILES notation for [5-(aminomethyl)-3-bromo-2-(difluoromethyl)-4-pyridinyl]methanol?
The canonical SMILES for [5-(aminomethyl)-3-bromo-2-(difluoromethyl)-4-pyridinyl]methanol is NCc1cnc(C(F)F)c(Br)c1CO.
What is the InChIKey of [5-(aminomethyl)-3-bromo-2-(difluoromethyl)-4-pyridinyl]methanol?
The InChIKey is NJVXDWFCPDRHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF2N2O/c9-6-5(3-14)4(1-12)2-13-7(6)8(10)11/h2,8,14H,1,3,12H2.
What are the key properties of [5-(aminomethyl)-3-bromo-2-(difluoromethyl)-4-pyridinyl]methanol?
[5-(aminomethyl)-3-bromo-2-(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 [5-(aminomethyl)-3-bromo-2-(difluoromethyl)-4-pyridinyl]methanol is sourced from PubChem (CID 130070086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).