2-fluoro-6-(3-methyl-2-pyridinyl)benzaldehyde

C13H10FNO — CID 172968774

IUPAC2-fluoro-6-(3-methyl-2-pyridinyl)benzaldehyde
SMILESCc1cccnc1-c1cccc(F)c1C=O
InChIInChI=1S/C13H10FNO/c1-9-4-3-7-15-13(9)10-5-2-6-12(14)11(10)8-16/h2-8H,1H3
InChIKeyCKFOBXMSJWSWJI-UHFFFAOYSA-N
MW215.23 g/mol
LogP3.01
Rot. Bonds2

About 2-fluoro-6-(3-methyl-2-pyridinyl)benzaldehyde

2-fluoro-6-(3-methyl-2-pyridinyl)benzaldehyde (PubChem CID 172968774) has the molecular formula C13H10FNO and a molecular weight of 215.23 g/mol. Its IUPAC name is 2-fluoro-6-(3-methyl-2-pyridinyl)benzaldehyde.

Molecular Properties

Compound Name2-fluoro-6-(3-methyl-2-pyridinyl)benzaldehyde
PubChem CID172968774
Molecular FormulaC13H10FNO
Molecular Weight215.23 g/mol
Exact Mass215.07
IUPAC Name2-fluoro-6-(3-methyl-2-pyridinyl)benzaldehyde
SMILESCc1cccnc1-c1cccc(F)c1C=O
InChIInChI=1S/C13H10FNO/c1-9-4-3-7-15-13(9)10-5-2-6-12(14)11(10)8-16/h2-8H,1H3
InChIKeyCKFOBXMSJWSWJI-UHFFFAOYSA-N
XLogP3.01
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-fluoro-6-(3-methyl-2-pyridinyl)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(3-methyl-2-pyridinyl)phenyl]benzaldehyde
CID 101484280
2-fluoro-6-methylbenzaldehyde;methyl formate
CID 163291758
4-fluoro-2-(4-fluorophenyl)pyridine-3-carbaldehyde
CID 118993010
2-(3-methyl-2-pyridinyl)benzenethiol
CID 137155222
2-fluoro-6-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649734
2-methyl-4-(2-methyl-3-pyridinyl)benzaldehyde
CID 146405666
ethane;4-(2-fluoro-3-methylphenyl)pyridine-2-carbaldehyde;N-methylmethanamine
CID 178155038
2-tert-butyl-3-(3-methyl-2-pyridinyl)benzoic acid
CID 66780485
2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde
CID 118813601
8-(3-methyl-2-pyridinyl)quinolin-2-amine
CID 150159281
2-(3-chlorophenyl)-6-fluorobenzaldehyde
CID 172993863
2-[[2-(2-chloro-3-pyridinyl)cyclohexen-1-yl]methoxy]-6-fluorobenzaldehyde
CID 90426954

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(3-methyl-2-pyridinyl)benzaldehyde?
The IUPAC name of 2-fluoro-6-(3-methyl-2-pyridinyl)benzaldehyde (CID 172968774) is 2-fluoro-6-(3-methyl-2-pyridinyl)benzaldehyde.
What is the SMILES notation for 2-fluoro-6-(3-methyl-2-pyridinyl)benzaldehyde?
The canonical SMILES for 2-fluoro-6-(3-methyl-2-pyridinyl)benzaldehyde is Cc1cccnc1-c1cccc(F)c1C=O.
What is the InChIKey of 2-fluoro-6-(3-methyl-2-pyridinyl)benzaldehyde?
The InChIKey is CKFOBXMSJWSWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO/c1-9-4-3-7-15-13(9)10-5-2-6-12(14)11(10)8-16/h2-8H,1H3.
What are the key properties of 2-fluoro-6-(3-methyl-2-pyridinyl)benzaldehyde?
2-fluoro-6-(3-methyl-2-pyridinyl)benzaldehyde has a molecular weight of 215.23 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(3-methyl-2-pyridinyl)benzaldehyde is sourced from PubChem (CID 172968774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).