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

C8H11F2N3O — CID 130107021

IUPAC[5-amino-2-(aminomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol
SMILESNCc1ncc(N)c(CO)c1C(F)F
InChIInChI=1S/C8H11F2N3O/c9-8(10)7-4(3-14)5(12)2-13-6(7)1-11/h2,8,14H,1,3,11-12H2
InChIKeyBVFQKXBTTORQGD-UHFFFAOYSA-N
MW203.19 g/mol
LogP0.55
Rot. Bonds3

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

[5-amino-2-(aminomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol (PubChem CID 130107021) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is [5-amino-2-(aminomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[5-amino-2-(aminomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol
PubChem CID130107021
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name[5-amino-2-(aminomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol
SMILESNCc1ncc(N)c(CO)c1C(F)F
InChIInChI=1S/C8H11F2N3O/c9-8(10)7-4(3-14)5(12)2-13-6(7)1-11/h2,8,14H,1,3,11-12H2
InChIKeyBVFQKXBTTORQGD-UHFFFAOYSA-N
XLogP0.55
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [5-amino-2-(aminomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118825588
[2-(aminomethyl)-4-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
CID 118820101
[2-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 118837003
[5-amino-4-chloro-3-(difluoromethyl)-2-pyridinyl]methanol
CID 130102835
[4-(aminomethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
CID 118824248
2-[5-amino-3-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 134684591
5-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile
CID 130103592
[4-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134672695
[4,5-diamino-2-(difluoromethyl)-3-pyridinyl]methanol
CID 118818389
5-(aminomethyl)-4-(difluoromethyl)-6-fluoropyridin-3-amine
CID 130104000
4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118801124
[6-(aminomethyl)-5-(difluoromethyl)-3-pyridinyl]methanol
CID 118831070

Frequently Asked Questions

What is the IUPAC name of [5-amino-2-(aminomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol?
The IUPAC name of [5-amino-2-(aminomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol (CID 130107021) is [5-amino-2-(aminomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol.
What is the SMILES notation for [5-amino-2-(aminomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol?
The canonical SMILES for [5-amino-2-(aminomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol is NCc1ncc(N)c(CO)c1C(F)F.
What is the InChIKey of [5-amino-2-(aminomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol?
The InChIKey is BVFQKXBTTORQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c9-8(10)7-4(3-14)5(12)2-13-6(7)1-11/h2,8,14H,1,3,11-12H2.
What are the key properties of [5-amino-2-(aminomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol?
[5-amino-2-(aminomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol has a molecular weight of 203.19 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2-(aminomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol is sourced from PubChem (CID 130107021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).