[4,6-diamino-3-(difluoromethyl)-2-pyridinyl]methanol

C7H9F2N3O — CID 118834949

IUPAC[4,6-diamino-3-(difluoromethyl)-2-pyridinyl]methanol
SMILESNc1cc(N)c(C(F)F)c(CO)n1
InChIInChI=1S/C7H9F2N3O/c8-7(9)6-3(10)1-5(11)12-4(6)2-13/h1,7,13H,2H2,(H4,10,11,12)
InChIKeyRFSFBFVNUMTHKY-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.68
Rot. Bonds2

About [4,6-diamino-3-(difluoromethyl)-2-pyridinyl]methanol

[4,6-diamino-3-(difluoromethyl)-2-pyridinyl]methanol (PubChem CID 118834949) has the molecular formula C7H9F2N3O and a molecular weight of 189.17 g/mol. Its IUPAC name is [4,6-diamino-3-(difluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4,6-diamino-3-(difluoromethyl)-2-pyridinyl]methanol
PubChem CID118834949
Molecular FormulaC7H9F2N3O
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name[4,6-diamino-3-(difluoromethyl)-2-pyridinyl]methanol
SMILESNc1cc(N)c(C(F)F)c(CO)n1
InChIInChI=1S/C7H9F2N3O/c8-7(9)6-3(10)1-5(11)12-4(6)2-13/h1,7,13H,2H2,(H4,10,11,12)
InChIKeyRFSFBFVNUMTHKY-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4,6-diamino-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134676216
6-amino-4-(difluoromethyl)-2-(hydroxymethyl)pyridin-3-ol
CID 130104825
[5-amino-4-chloro-3-(difluoromethyl)-2-pyridinyl]methanol
CID 130102835
[4,6-dichloro-3-(difluoromethyl)-2-pyridinyl]methanol
CID 118806568
[6-amino-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 130107727
[6-amino-3-(difluoromethyl)-2-methyl-4-pyridinyl]methanol
CID 130106484
[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 133103764
[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]methanol
CID 130098756
6-(aminomethyl)-4-bromo-5-(difluoromethyl)pyridin-2-amine
CID 130101856
5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2,4-diamine
CID 118806656
[3-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanol
CID 130086190
[4-(bromomethyl)-3-(difluoromethyl)-6-fluoro-2-pyridinyl]methanol
CID 130081862

Frequently Asked Questions

What is the IUPAC name of [4,6-diamino-3-(difluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [4,6-diamino-3-(difluoromethyl)-2-pyridinyl]methanol (CID 118834949) is [4,6-diamino-3-(difluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [4,6-diamino-3-(difluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [4,6-diamino-3-(difluoromethyl)-2-pyridinyl]methanol is Nc1cc(N)c(C(F)F)c(CO)n1.
What is the InChIKey of [4,6-diamino-3-(difluoromethyl)-2-pyridinyl]methanol?
The InChIKey is RFSFBFVNUMTHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O/c8-7(9)6-3(10)1-5(11)12-4(6)2-13/h1,7,13H,2H2,(H4,10,11,12).
What are the key properties of [4,6-diamino-3-(difluoromethyl)-2-pyridinyl]methanol?
[4,6-diamino-3-(difluoromethyl)-2-pyridinyl]methanol has a molecular weight of 189.17 g/mol, XLogP of 0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-diamino-3-(difluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 118834949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).