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

C7H9F2N3O — CID 130098756

IUPAC[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]methanol
SMILESNc1cc(C(F)F)nc(CO)c1N
InChIInChI=1S/C7H9F2N3O/c8-7(9)4-1-3(10)6(11)5(2-13)12-4/h1,7,13H,2,11H2,(H2,10,12)
InChIKeyNVDCJTYOGPWGEL-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.68
Rot. Bonds2

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

[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]methanol (PubChem CID 130098756) has the molecular formula C7H9F2N3O and a molecular weight of 189.17 g/mol. Its IUPAC name is [3,4-diamino-6-(difluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]methanol
PubChem CID130098756
Molecular FormulaC7H9F2N3O
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]methanol
SMILESNc1cc(C(F)F)nc(CO)c1N
InChIInChI=1S/C7H9F2N3O/c8-7(9)4-1-3(10)6(11)5(2-13)12-4/h1,7,13H,2,11H2,(H2,10,12)
InChIKeyNVDCJTYOGPWGEL-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

[4-amino-3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]methanol
CID 130107519
2-[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 134684321
4-amino-2-(aminomethyl)-6-(difluoromethyl)pyridin-3-ol
CID 118818065
[6-(difluoromethyl)-4-fluoro-3-methyl-2-pyridinyl]methanol
CID 130081090
2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridin-4-amine
CID 130105942
2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridin-4-amine
CID 130106396
[6-(difluoromethyl)-4-methoxy-3-methyl-2-pyridinyl]methanol
CID 130087896
[4,6-diamino-3-(difluoromethyl)-2-pyridinyl]methanol
CID 118834949
methyl 2-[4-amino-6-(difluoromethyl)-3-iodo-2-pyridinyl]acetate
CID 134660886
2-[4-amino-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130107709
2-(chloromethyl)-6-(difluoromethyl)-4-methoxypyridin-3-amine
CID 130105970
2-[4-amino-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 118834747

Frequently Asked Questions

What is the IUPAC name of [3,4-diamino-6-(difluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [3,4-diamino-6-(difluoromethyl)-2-pyridinyl]methanol (CID 130098756) is [3,4-diamino-6-(difluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [3,4-diamino-6-(difluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [3,4-diamino-6-(difluoromethyl)-2-pyridinyl]methanol is Nc1cc(C(F)F)nc(CO)c1N.
What is the InChIKey of [3,4-diamino-6-(difluoromethyl)-2-pyridinyl]methanol?
The InChIKey is NVDCJTYOGPWGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O/c8-7(9)4-1-3(10)6(11)5(2-13)12-4/h1,7,13H,2,11H2,(H2,10,12).
What are the key properties of [3,4-diamino-6-(difluoromethyl)-2-pyridinyl]methanol?
[3,4-diamino-6-(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 [3,4-diamino-6-(difluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 130098756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).