cyclopropyl-(2-fluoro-4-methyl-3-pyridinyl)methanol

C10H12FNO — CID 176820199

IUPACcyclopropyl-(2-fluoro-4-methyl-3-pyridinyl)methanol
SMILESCc1ccnc(F)c1C(O)C1CC1
InChIInChI=1S/C10H12FNO/c1-6-4-5-12-10(11)8(6)9(13)7-2-3-7/h4-5,7,9,13H,2-3H2,1H3
InChIKeyKDBFGFHRCOTYQW-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.97
Rot. Bonds2

About cyclopropyl-(2-fluoro-4-methyl-3-pyridinyl)methanol

cyclopropyl-(2-fluoro-4-methyl-3-pyridinyl)methanol (PubChem CID 176820199) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is cyclopropyl-(2-fluoro-4-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Namecyclopropyl-(2-fluoro-4-methyl-3-pyridinyl)methanol
PubChem CID176820199
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Namecyclopropyl-(2-fluoro-4-methyl-3-pyridinyl)methanol
SMILESCc1ccnc(F)c1C(O)C1CC1
InChIInChI=1S/C10H12FNO/c1-6-4-5-12-10(11)8(6)9(13)7-2-3-7/h4-5,7,9,13H,2-3H2,1H3
InChIKeyKDBFGFHRCOTYQW-UHFFFAOYSA-N
XLogP1.97
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethane;1-(2-fluoro-4-methyl-3-pyridinyl)ethanol
CID 143814880
1-(2-amino-4-methyl-3-pyridinyl)-2-cyclopropylethane-1,2-diol
CID 103456736
(2-amino-4-methyl-3-pyridinyl)-(3,3-difluorocyclohexyl)methanol
CID 114215752
cyclopropyl-(2,3,6-trifluorophenyl)methanol
CID 139965789
(4-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanol
CID 66273752
1-(2-amino-4-methyl-3-pyridinyl)-2-cyclohexylethane-1,2-diol
CID 103458996
(4-methyl-3-pyridinyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105110904
(4-methylcyclohexyl)-(2-methyl-4-pyridinyl)methanol
CID 106756225
cyclopentyl-(4-methyl-2-pyridinyl)methanol
CID 63839909
cycloheptyl-(4-methyl-3-pyridinyl)methanol
CID 66273523
(4-ethylcyclohexyl)-(4-methyl-3-pyridinyl)methanol
CID 66273542
(4-fluoro-3-methylphenyl)-(4-propan-2-ylcyclohexyl)methanol
CID 65424893

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(2-fluoro-4-methyl-3-pyridinyl)methanol?
The IUPAC name of cyclopropyl-(2-fluoro-4-methyl-3-pyridinyl)methanol (CID 176820199) is cyclopropyl-(2-fluoro-4-methyl-3-pyridinyl)methanol.
What is the SMILES notation for cyclopropyl-(2-fluoro-4-methyl-3-pyridinyl)methanol?
The canonical SMILES for cyclopropyl-(2-fluoro-4-methyl-3-pyridinyl)methanol is Cc1ccnc(F)c1C(O)C1CC1.
What is the InChIKey of cyclopropyl-(2-fluoro-4-methyl-3-pyridinyl)methanol?
The InChIKey is KDBFGFHRCOTYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-6-4-5-12-10(11)8(6)9(13)7-2-3-7/h4-5,7,9,13H,2-3H2,1H3.
What are the key properties of cyclopropyl-(2-fluoro-4-methyl-3-pyridinyl)methanol?
cyclopropyl-(2-fluoro-4-methyl-3-pyridinyl)methanol has a molecular weight of 181.21 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(2-fluoro-4-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 176820199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).