4-amino-2-(aminomethyl)-6-(difluoromethyl)pyridin-3-ol

C7H9F2N3O — CID 118818065

IUPAC4-amino-2-(aminomethyl)-6-(difluoromethyl)pyridin-3-ol
SMILESNCc1nc(C(F)F)cc(N)c1O
InChIInChI=1S/C7H9F2N3O/c8-7(9)4-1-3(11)6(13)5(2-10)12-4/h1,7,13H,2,10H2,(H2,11,12)
InChIKeyKDRRKUWUJCPJDH-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.77
Rot. Bonds2

About 4-amino-2-(aminomethyl)-6-(difluoromethyl)pyridin-3-ol

4-amino-2-(aminomethyl)-6-(difluoromethyl)pyridin-3-ol (PubChem CID 118818065) has the molecular formula C7H9F2N3O and a molecular weight of 189.17 g/mol. Its IUPAC name is 4-amino-2-(aminomethyl)-6-(difluoromethyl)pyridin-3-ol.

Molecular Properties

Compound Name4-amino-2-(aminomethyl)-6-(difluoromethyl)pyridin-3-ol
PubChem CID118818065
Molecular FormulaC7H9F2N3O
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name4-amino-2-(aminomethyl)-6-(difluoromethyl)pyridin-3-ol
SMILESNCc1nc(C(F)F)cc(N)c1O
InChIInChI=1S/C7H9F2N3O/c8-7(9)4-1-3(11)6(13)5(2-10)12-4/h1,7,13H,2,10H2,(H2,11,12)
InChIKeyKDRRKUWUJCPJDH-UHFFFAOYSA-N
XLogP0.77
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]methanol
CID 130098756
2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine
CID 118823621
2-[4-(aminomethyl)-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile
CID 118807286
[4-amino-3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]methanol
CID 130107519
2-[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 134684321
[6-(difluoromethyl)-3-fluoro-4-methyl-2-pyridinyl]methanamine
CID 118848345
2-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-ol
CID 118808608
[6-(difluoromethyl)-3-fluoro-4-iodo-2-pyridinyl]methanamine
CID 118820195
[4-bromo-6-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine
CID 118808600
2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridin-4-amine
CID 130106396
[3-bromo-4-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine
CID 118820044
4-(aminomethyl)-2-chloro-6-(difluoromethyl)pyridin-3-ol
CID 130072411

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(aminomethyl)-6-(difluoromethyl)pyridin-3-ol?
The IUPAC name of 4-amino-2-(aminomethyl)-6-(difluoromethyl)pyridin-3-ol (CID 118818065) is 4-amino-2-(aminomethyl)-6-(difluoromethyl)pyridin-3-ol.
What is the SMILES notation for 4-amino-2-(aminomethyl)-6-(difluoromethyl)pyridin-3-ol?
The canonical SMILES for 4-amino-2-(aminomethyl)-6-(difluoromethyl)pyridin-3-ol is NCc1nc(C(F)F)cc(N)c1O.
What is the InChIKey of 4-amino-2-(aminomethyl)-6-(difluoromethyl)pyridin-3-ol?
The InChIKey is KDRRKUWUJCPJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O/c8-7(9)4-1-3(11)6(13)5(2-10)12-4/h1,7,13H,2,10H2,(H2,11,12).
What are the key properties of 4-amino-2-(aminomethyl)-6-(difluoromethyl)pyridin-3-ol?
4-amino-2-(aminomethyl)-6-(difluoromethyl)pyridin-3-ol has a molecular weight of 189.17 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(aminomethyl)-6-(difluoromethyl)pyridin-3-ol is sourced from PubChem (CID 118818065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).