[3-fluoro-5-[(2R)-2-methylpyrrolidin-1-yl]-2-pyridinyl]carbamic acid

C11H14FN3O2 — CID 170319547

IUPAC[3-fluoro-5-[(2R)-2-methylpyrrolidin-1-yl]-2-pyridinyl]carbamic acid
SMILESC[C@@H]1CCCN1c1cnc(NC(=O)O)c(F)c1
InChIInChI=1S/C11H14FN3O2/c1-7-3-2-4-15(7)8-5-9(12)10(13-6-8)14-11(16)17/h5-7H,2-4H2,1H3,(H,13,14)(H,16,17)/t7-/m1/s1
InChIKeyRIPGKDCBDVSYNL-SSDOTTSWSA-N
MW239.25 g/mol
LogP2.30
Rot. Bonds2

About [3-fluoro-5-[(2R)-2-methylpyrrolidin-1-yl]-2-pyridinyl]carbamic acid

[3-fluoro-5-[(2R)-2-methylpyrrolidin-1-yl]-2-pyridinyl]carbamic acid (PubChem CID 170319547) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is [3-fluoro-5-[(2R)-2-methylpyrrolidin-1-yl]-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[3-fluoro-5-[(2R)-2-methylpyrrolidin-1-yl]-2-pyridinyl]carbamic acid
PubChem CID170319547
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name[3-fluoro-5-[(2R)-2-methylpyrrolidin-1-yl]-2-pyridinyl]carbamic acid
SMILESC[C@@H]1CCCN1c1cnc(NC(=O)O)c(F)c1
InChIInChI=1S/C11H14FN3O2/c1-7-3-2-4-15(7)8-5-9(12)10(13-6-8)14-11(16)17/h5-7H,2-4H2,1H3,(H,13,14)(H,16,17)/t7-/m1/s1
InChIKeyRIPGKDCBDVSYNL-SSDOTTSWSA-N
XLogP2.30
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(2-methylpyrrolidin-1-yl)-3-pyridinyl]carbamic acid
CID 170319554
5-(2-methylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 115490753
[3-methyl-5-[4-[4-(2-methylpyrrolidin-1-yl)phenyl]phenyl]-1,2-oxazol-4-yl]carbamic acid
CID 144533546
2-methyl-5-(2-methylpyrrolidin-1-yl)benzoic acid
CID 79679880
4-[[5-(2-methylpiperidin-1-yl)-2-pyridinyl]amino]-4-oxobutanoic acid
CID 82034796
5-bromo-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 167919180
5-chloro-3-fluoro-2-(2-methylpyrrolidin-1-yl)pyridine
CID 79728793
chloromethyl 3-[(2S)-2-methylpyrrolidin-1-yl]quinoline-6-carboxylate
CID 141344653
1-(2-methylpyrimidin-5-yl)pyrrolidine-2-carboxylic acid
CID 112709125
1-[6-chloro-4-(2-methylpyrrolidin-1-yl)-2-pyridinyl]ethanone
CID 175597614
2-fluoro-4-(2-methylpyrrolidin-1-yl)benzonitrile
CID 115367210
N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-5-fluoro-3-(2-methylpyrrolidin-1-yl)quinoline-8-carboxamide
CID 145287552

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-[(2R)-2-methylpyrrolidin-1-yl]-2-pyridinyl]carbamic acid?
The IUPAC name of [3-fluoro-5-[(2R)-2-methylpyrrolidin-1-yl]-2-pyridinyl]carbamic acid (CID 170319547) is [3-fluoro-5-[(2R)-2-methylpyrrolidin-1-yl]-2-pyridinyl]carbamic acid.
What is the SMILES notation for [3-fluoro-5-[(2R)-2-methylpyrrolidin-1-yl]-2-pyridinyl]carbamic acid?
The canonical SMILES for [3-fluoro-5-[(2R)-2-methylpyrrolidin-1-yl]-2-pyridinyl]carbamic acid is C[C@@H]1CCCN1c1cnc(NC(=O)O)c(F)c1.
What is the InChIKey of [3-fluoro-5-[(2R)-2-methylpyrrolidin-1-yl]-2-pyridinyl]carbamic acid?
The InChIKey is RIPGKDCBDVSYNL-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-7-3-2-4-15(7)8-5-9(12)10(13-6-8)14-11(16)17/h5-7H,2-4H2,1H3,(H,13,14)(H,16,17)/t7-/m1/s1.
What are the key properties of [3-fluoro-5-[(2R)-2-methylpyrrolidin-1-yl]-2-pyridinyl]carbamic acid?
[3-fluoro-5-[(2R)-2-methylpyrrolidin-1-yl]-2-pyridinyl]carbamic acid has a molecular weight of 239.25 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-[(2R)-2-methylpyrrolidin-1-yl]-2-pyridinyl]carbamic acid is sourced from PubChem (CID 170319547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).