2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridin-3-ol

C7H9F2N3O — CID 118997020

IUPAC2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridin-3-ol
SMILESNCc1c(C(F)F)cnc(N)c1O
InChIInChI=1S/C7H9F2N3O/c8-6(9)4-2-12-7(11)5(13)3(4)1-10/h2,6,13H,1,10H2,(H2,11,12)
InChIKeyOUWXOSNHXYQMSZ-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.77
Rot. Bonds2

About 2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridin-3-ol

2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridin-3-ol (PubChem CID 118997020) has the molecular formula C7H9F2N3O and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridin-3-ol.

Molecular Properties

Compound Name2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridin-3-ol
PubChem CID118997020
Molecular FormulaC7H9F2N3O
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridin-3-ol
SMILESNCc1c(C(F)F)cnc(N)c1O
InChIInChI=1S/C7H9F2N3O/c8-6(9)4-2-12-7(11)5(13)3(4)1-10/h2,6,13H,1,10H2,(H2,11,12)
InChIKeyOUWXOSNHXYQMSZ-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

2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 119021570
4-(aminomethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde
CID 118812276
2-[4-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid
CID 118806631
3-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridin-4-amine
CID 118850626
6-amino-5-(difluoromethyl)pyridin-3-ol
CID 118996069
[5-(difluoromethyl)-2,4-diiodo-3-pyridinyl]methanamine
CID 130100567
4-(aminomethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 118823555
[3-chloro-5-(difluoromethyl)-2-fluoro-4-pyridinyl]methanamine
CID 118829918
3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridin-4-amine
CID 118844985
[2-amino-5-(difluoromethyl)-3-methoxy-4-pyridinyl]methanol
CID 119022056
3-bromo-4-(chloromethyl)-5-(difluoromethyl)pyridin-2-amine
CID 118998627
2-[2-amino-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid
CID 118996845

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridin-3-ol?
The IUPAC name of 2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridin-3-ol (CID 118997020) is 2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridin-3-ol.
What is the SMILES notation for 2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridin-3-ol?
The canonical SMILES for 2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridin-3-ol is NCc1c(C(F)F)cnc(N)c1O.
What is the InChIKey of 2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridin-3-ol?
The InChIKey is OUWXOSNHXYQMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O/c8-6(9)4-2-12-7(11)5(13)3(4)1-10/h2,6,13H,1,10H2,(H2,11,12).
What are the key properties of 2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridin-3-ol?
2-amino-4-(aminomethyl)-5-(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 2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridin-3-ol is sourced from PubChem (CID 118997020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).