5-chloro-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine

C12H16ClFN2O — CID 103743095

IUPAC5-chloro-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
SMILESCC1(CNc2ncc(Cl)cc2F)CCOCC1
InChIInChI=1S/C12H16ClFN2O/c1-12(2-4-17-5-3-12)8-16-11-10(14)6-9(13)7-15-11/h6-7H,2-5,8H2,1H3,(H,15,16)
InChIKeyLLROTGCLFBXZCU-UHFFFAOYSA-N
MW258.72 g/mol
LogP3.10
Rot. Bonds3

About 5-chloro-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine

5-chloro-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine (PubChem CID 103743095) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is 5-chloro-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
PubChem CID103743095
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name5-chloro-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
SMILESCC1(CNc2ncc(Cl)cc2F)CCOCC1
InChIInChI=1S/C12H16ClFN2O/c1-12(2-4-17-5-3-12)8-16-11-10(14)6-9(13)7-15-11/h6-7H,2-5,8H2,1H3,(H,15,16)
InChIKeyLLROTGCLFBXZCU-UHFFFAOYSA-N
XLogP3.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 79728045
5-bromo-3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
CID 103580341
1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cycloheptan-1-ol
CID 79728355
3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
CID 103748473
4-[[(3,5-dichloro-2-pyridinyl)amino]methyl]oxan-4-ol
CID 81130477
5-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
CID 104952726
5-chloro-3-fluoro-N-(oxan-4-yl)pyridin-2-amine
CID 79728129
5-amino-6-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid
CID 114126633
5-chloro-N-(2,2-difluoropropyl)-3-fluoropyridin-2-amine
CID 130639761
5-chloro-3-fluoro-N-(2-fluoroethyl)pyridin-2-amine
CID 130478073
1-N-(5-chloro-3-fluoro-2-pyridinyl)-2-methylpropane-1,2-diamine
CID 79867421
5-chloro-3-fluoro-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine
CID 115681742

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine (CID 103743095) is 5-chloro-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine is CC1(CNc2ncc(Cl)cc2F)CCOCC1.
What is the InChIKey of 5-chloro-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
The InChIKey is LLROTGCLFBXZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c1-12(2-4-17-5-3-12)8-16-11-10(14)6-9(13)7-15-11/h6-7H,2-5,8H2,1H3,(H,15,16).
What are the key properties of 5-chloro-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine?
5-chloro-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine has a molecular weight of 258.72 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 103743095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).