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

C8H10F2N2O — CID 130098028

IUPAC[5-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
SMILESNCc1cnc(CO)cc1C(F)F
InChIInChI=1S/C8H10F2N2O/c9-8(10)7-1-6(4-13)12-3-5(7)2-11/h1,3,8,13H,2,4,11H2
InChIKeyYMJJHMPMKHACQO-UHFFFAOYSA-N
MW188.18 g/mol
LogP0.97
Rot. Bonds3

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

[5-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol (PubChem CID 130098028) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is [5-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
PubChem CID130098028
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name[5-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
SMILESNCc1cnc(CO)cc1C(F)F
InChIInChI=1S/C8H10F2N2O/c9-8(10)7-1-6(4-13)12-3-5(7)2-11/h1,3,8,13H,2,4,11H2
InChIKeyYMJJHMPMKHACQO-UHFFFAOYSA-N
XLogP0.97
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
CID 130098363
[5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol
CID 130096445
[6-chloro-4-(difluoromethyl)-3-pyridinyl]methanamine
CID 130095491
[4-(difluoromethyl)-6-propan-2-yl-3-pyridinyl]methanamine
CID 84669445
[6-amino-4-(difluoromethyl)-3-pyridinyl]methanol
CID 119013180
[5-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
CID 130097958
[6-(aminomethyl)-5-(difluoromethyl)-3-pyridinyl]methanol
CID 118831070
[4,5-di(propan-2-yl)-2-pyridinyl]methanol
CID 177367949
[6-(aminomethyl)-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
CID 130086878
[6-(aminomethyl)-4-(difluoromethyl)-5-methyl-2-pyridinyl]methanol
CID 130088446
[5-(aminomethyl)-3-bromo-2-(difluoromethyl)-4-pyridinyl]methanol
CID 130070086
[6-chloro-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
CID 130073268

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [5-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol (CID 130098028) is [5-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [5-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [5-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol is NCc1cnc(CO)cc1C(F)F.
What is the InChIKey of [5-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol?
The InChIKey is YMJJHMPMKHACQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c9-8(10)7-1-6(4-13)12-3-5(7)2-11/h1,3,8,13H,2,4,11H2.
What are the key properties of [5-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol?
[5-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol has a molecular weight of 188.18 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 130098028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).