3-(5-chloro-2-fluoro-3-pyridinyl)prop-2-en-1-ol

C8H7ClFNO — CID 169453090

IUPAC3-(5-chloro-2-fluoro-3-pyridinyl)prop-2-en-1-ol
SMILESOCC=Cc1cc(Cl)cnc1F
InChIInChI=1S/C8H7ClFNO/c9-7-4-6(2-1-3-12)8(10)11-5-7/h1-2,4-5,12H,3H2
InChIKeyNTSRFMNWTJVGRH-UHFFFAOYSA-N
MW187.60 g/mol
LogP1.88
Rot. Bonds2

About 3-(5-chloro-2-fluoro-3-pyridinyl)prop-2-en-1-ol

3-(5-chloro-2-fluoro-3-pyridinyl)prop-2-en-1-ol (PubChem CID 169453090) has the molecular formula C8H7ClFNO and a molecular weight of 187.60 g/mol. Its IUPAC name is 3-(5-chloro-2-fluoro-3-pyridinyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(5-chloro-2-fluoro-3-pyridinyl)prop-2-en-1-ol
PubChem CID169453090
Molecular FormulaC8H7ClFNO
Molecular Weight187.60 g/mol
Exact Mass187.02
IUPAC Name3-(5-chloro-2-fluoro-3-pyridinyl)prop-2-en-1-ol
SMILESOCC=Cc1cc(Cl)cnc1F
InChIInChI=1S/C8H7ClFNO/c9-7-4-6(2-1-3-12)8(10)11-5-7/h1-2,4-5,12H,3H2
InChIKeyNTSRFMNWTJVGRH-UHFFFAOYSA-N
XLogP1.88
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.60
LogP ≤ 51.88
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

5-chloro-3-(3-chloroprop-1-enyl)-2-fluoropyridine
CID 169477081
3-(6-chloro-5-fluoro-3-pyridinyl)prop-2-en-1-ol
CID 169453082
3-(6-chloro-4-methyl-3-pyridinyl)prop-2-en-1-ol
CID 169453054
5-chloro-3-(3-hydroxyprop-1-enyl)-1H-pyridin-2-one
CID 169453100
3-(2,6-difluoro-3-pyridinyl)prop-2-en-1-ol
CID 169453091
1-(5-chloro-2-fluoro-3-pyridinyl)propane-1,2,3-triol
CID 170817616
CID 170638062
CID 170638062
3-(3-bromoprop-1-enyl)-5-chloro-2-methoxypyridine
CID 169475561
3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol
CID 169454116
(E)-3-(6-chloro-3-pyridinyl)prop-2-en-1-ol
CID 10725825
2,5-dichloro-4-(3-hydroxyprop-1-enyl)phenol
CID 169453261
ethyl 4-(2,5-dichloro-3-pyridinyl)but-3-enoate
CID 170795863

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluoro-3-pyridinyl)prop-2-en-1-ol?
The IUPAC name of 3-(5-chloro-2-fluoro-3-pyridinyl)prop-2-en-1-ol (CID 169453090) is 3-(5-chloro-2-fluoro-3-pyridinyl)prop-2-en-1-ol.
What is the SMILES notation for 3-(5-chloro-2-fluoro-3-pyridinyl)prop-2-en-1-ol?
The canonical SMILES for 3-(5-chloro-2-fluoro-3-pyridinyl)prop-2-en-1-ol is OCC=Cc1cc(Cl)cnc1F.
What is the InChIKey of 3-(5-chloro-2-fluoro-3-pyridinyl)prop-2-en-1-ol?
The InChIKey is NTSRFMNWTJVGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO/c9-7-4-6(2-1-3-12)8(10)11-5-7/h1-2,4-5,12H,3H2.
What are the key properties of 3-(5-chloro-2-fluoro-3-pyridinyl)prop-2-en-1-ol?
3-(5-chloro-2-fluoro-3-pyridinyl)prop-2-en-1-ol has a molecular weight of 187.60 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluoro-3-pyridinyl)prop-2-en-1-ol is sourced from PubChem (CID 169453090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).