(6-chloro-3-fluoro-5-methyl-2-pyridinyl)methanol

C7H7ClFNO — CID 163303923

IUPAC(6-chloro-3-fluoro-5-methyl-2-pyridinyl)methanol
SMILESCc1cc(F)c(CO)nc1Cl
InChIInChI=1S/C7H7ClFNO/c1-4-2-5(9)6(3-11)10-7(4)8/h2,11H,3H2,1H3
InChIKeyMCBRIFRTUBDFFY-UHFFFAOYSA-N
MW175.59 g/mol
LogP1.67
Rot. Bonds1

About (6-chloro-3-fluoro-5-methyl-2-pyridinyl)methanol

(6-chloro-3-fluoro-5-methyl-2-pyridinyl)methanol (PubChem CID 163303923) has the molecular formula C7H7ClFNO and a molecular weight of 175.59 g/mol. Its IUPAC name is (6-chloro-3-fluoro-5-methyl-2-pyridinyl)methanol.

Molecular Properties

Compound Name(6-chloro-3-fluoro-5-methyl-2-pyridinyl)methanol
PubChem CID163303923
Molecular FormulaC7H7ClFNO
Molecular Weight175.59 g/mol
Exact Mass175.02
IUPAC Name(6-chloro-3-fluoro-5-methyl-2-pyridinyl)methanol
SMILESCc1cc(F)c(CO)nc1Cl
InChIInChI=1S/C7H7ClFNO/c1-4-2-5(9)6(3-11)10-7(4)8/h2,11H,3H2,1H3
InChIKeyMCBRIFRTUBDFFY-UHFFFAOYSA-N
XLogP1.67
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.59
LogP ≤ 51.67
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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Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-fluoro-5-methyl-2-pyridinyl)methanol?
The IUPAC name of (6-chloro-3-fluoro-5-methyl-2-pyridinyl)methanol (CID 163303923) is (6-chloro-3-fluoro-5-methyl-2-pyridinyl)methanol.
What is the SMILES notation for (6-chloro-3-fluoro-5-methyl-2-pyridinyl)methanol?
The canonical SMILES for (6-chloro-3-fluoro-5-methyl-2-pyridinyl)methanol is Cc1cc(F)c(CO)nc1Cl.
What is the InChIKey of (6-chloro-3-fluoro-5-methyl-2-pyridinyl)methanol?
The InChIKey is MCBRIFRTUBDFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFNO/c1-4-2-5(9)6(3-11)10-7(4)8/h2,11H,3H2,1H3.
What are the key properties of (6-chloro-3-fluoro-5-methyl-2-pyridinyl)methanol?
(6-chloro-3-fluoro-5-methyl-2-pyridinyl)methanol has a molecular weight of 175.59 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-fluoro-5-methyl-2-pyridinyl)methanol is sourced from PubChem (CID 163303923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).