3-fluoro-N,N-bis(2-hydroxyethyl)pyridine-4-carboxamide

C10H13FN2O3 — CID 64950885

IUPAC3-fluoro-N,N-bis(2-hydroxyethyl)pyridine-4-carboxamide
SMILESO=C(c1ccncc1F)N(CCO)CCO
InChIInChI=1S/C10H13FN2O3/c11-9-7-12-2-1-8(9)10(16)13(3-5-14)4-6-15/h1-2,7,14-15H,3-6H2
InChIKeyZFXGARAAZYMQKE-UHFFFAOYSA-N
MW228.22 g/mol
LogP-0.35
Rot. Bonds5

About 3-fluoro-N,N-bis(2-hydroxyethyl)pyridine-4-carboxamide

3-fluoro-N,N-bis(2-hydroxyethyl)pyridine-4-carboxamide (PubChem CID 64950885) has the molecular formula C10H13FN2O3 and a molecular weight of 228.22 g/mol. Its IUPAC name is 3-fluoro-N,N-bis(2-hydroxyethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N,N-bis(2-hydroxyethyl)pyridine-4-carboxamide
PubChem CID64950885
Molecular FormulaC10H13FN2O3
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name3-fluoro-N,N-bis(2-hydroxyethyl)pyridine-4-carboxamide
SMILESO=C(c1ccncc1F)N(CCO)CCO
InChIInChI=1S/C10H13FN2O3/c11-9-7-12-2-1-8(9)10(16)13(3-5-14)4-6-15/h1-2,7,14-15H,3-6H2
InChIKeyZFXGARAAZYMQKE-UHFFFAOYSA-N
XLogP-0.35
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide
CID 115775734
N-[2-(dimethylamino)ethyl]-3-fluoro-N-propylpyridine-4-carboxamide
CID 115646479
4-chloro-N,N-bis(2-hydroxyethyl)pyridine-3-carboxamide
CID 81227403
3-fluoro-N,N-dimethylpyridine-4-carboxamide
CID 64950687
N-[3-(diethylamino)propyl]-N-ethyl-3-fluoropyridine-4-carboxamide
CID 102992706
N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 115646478
N-butyl-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 113240838
3-fluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 113240831
3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 64950514
N-(2-hydroxyethyl)-4-(methylamino)-N-propylpyridine-3-carboxamide
CID 81242925
N-(2-cyanoethyl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 64949290
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(methylamino)pyridine-4-carboxamide
CID 107486032

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,N-bis(2-hydroxyethyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N,N-bis(2-hydroxyethyl)pyridine-4-carboxamide (CID 64950885) is 3-fluoro-N,N-bis(2-hydroxyethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N,N-bis(2-hydroxyethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N,N-bis(2-hydroxyethyl)pyridine-4-carboxamide is O=C(c1ccncc1F)N(CCO)CCO.
What is the InChIKey of 3-fluoro-N,N-bis(2-hydroxyethyl)pyridine-4-carboxamide?
The InChIKey is ZFXGARAAZYMQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3/c11-9-7-12-2-1-8(9)10(16)13(3-5-14)4-6-15/h1-2,7,14-15H,3-6H2.
What are the key properties of 3-fluoro-N,N-bis(2-hydroxyethyl)pyridine-4-carboxamide?
3-fluoro-N,N-bis(2-hydroxyethyl)pyridine-4-carboxamide has a molecular weight of 228.22 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,N-bis(2-hydroxyethyl)pyridine-4-carboxamide is sourced from PubChem (CID 64950885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).