(2R)-2-(4-fluoro-2-nitroanilino)-3-pyridin-2-ylpropan-1-ol

C14H14FN3O3 — CID 99794888

IUPAC(2R)-2-(4-fluoro-2-nitroanilino)-3-pyridin-2-ylpropan-1-ol
SMILESO=[N+]([O-])c1cc(F)ccc1N[C@@H](CO)Cc1ccccn1
InChIInChI=1S/C14H14FN3O3/c15-10-4-5-13(14(7-10)18(20)21)17-12(9-19)8-11-3-1-2-6-16-11/h1-7,12,17,19H,8-9H2/t12-/m1/s1
InChIKeyYPLYHAOISBEEAH-GFCCVEGCSA-N
MW291.28 g/mol
LogP2.14
Rot. Bonds6

About (2R)-2-(4-fluoro-2-nitroanilino)-3-pyridin-2-ylpropan-1-ol

(2R)-2-(4-fluoro-2-nitroanilino)-3-pyridin-2-ylpropan-1-ol (PubChem CID 99794888) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is (2R)-2-(4-fluoro-2-nitroanilino)-3-pyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-(4-fluoro-2-nitroanilino)-3-pyridin-2-ylpropan-1-ol
PubChem CID99794888
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name(2R)-2-(4-fluoro-2-nitroanilino)-3-pyridin-2-ylpropan-1-ol
SMILESO=[N+]([O-])c1cc(F)ccc1N[C@@H](CO)Cc1ccccn1
InChIInChI=1S/C14H14FN3O3/c15-10-4-5-13(14(7-10)18(20)21)17-12(9-19)8-11-3-1-2-6-16-11/h1-7,12,17,19H,8-9H2/t12-/m1/s1
InChIKeyYPLYHAOISBEEAH-GFCCVEGCSA-N
XLogP2.14
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[2-nitro-4-(trifluoromethylsulfonyl)anilino]-3-pyridin-2-ylpropan-1-ol
CID 99794892
(2S)-2-[2-nitro-4-(trifluoromethylsulfonyl)anilino]-3-pyridin-2-ylpropan-1-ol
CID 99794891
2-(5-fluoro-2-nitroanilino)-3-phenylpropan-1-ol
CID 63260608
4-fluoro-2-nitro-N-pentan-3-ylaniline
CID 43218109
(2S)-2-(4-nitro-2-pyrrolidin-1-ylsulfonylanilino)-3-pyridin-2-ylpropan-1-ol
CID 99794893
N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-4-fluoro-2-nitroaniline
CID 133364043
N-(4-fluoro-2-nitrophenyl)-N'-pyridin-2-ylethane-1,2-diamine
CID 47121117
2-(2-aminoanilino)-3-pyridin-2-ylpropan-1-ol
CID 151293736
N-benzhydryl-4-fluoro-2-nitroaniline
CID 146162956
2-[(3-nitro-4-pyridinyl)amino]-3-phenylpropan-1-ol
CID 63261023
2-[(5-nitroquinolin-8-yl)amino]propane-1,3-diol
CID 65314483
(2R)-2-(5-fluoro-2-nitroanilino)-4-methylsulfanylbutan-1-ol
CID 100735589

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluoro-2-nitroanilino)-3-pyridin-2-ylpropan-1-ol?
The IUPAC name of (2R)-2-(4-fluoro-2-nitroanilino)-3-pyridin-2-ylpropan-1-ol (CID 99794888) is (2R)-2-(4-fluoro-2-nitroanilino)-3-pyridin-2-ylpropan-1-ol.
What is the SMILES notation for (2R)-2-(4-fluoro-2-nitroanilino)-3-pyridin-2-ylpropan-1-ol?
The canonical SMILES for (2R)-2-(4-fluoro-2-nitroanilino)-3-pyridin-2-ylpropan-1-ol is O=[N+]([O-])c1cc(F)ccc1N[C@@H](CO)Cc1ccccn1.
What is the InChIKey of (2R)-2-(4-fluoro-2-nitroanilino)-3-pyridin-2-ylpropan-1-ol?
The InChIKey is YPLYHAOISBEEAH-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H14FN3O3/c15-10-4-5-13(14(7-10)18(20)21)17-12(9-19)8-11-3-1-2-6-16-11/h1-7,12,17,19H,8-9H2/t12-/m1/s1.
What are the key properties of (2R)-2-(4-fluoro-2-nitroanilino)-3-pyridin-2-ylpropan-1-ol?
(2R)-2-(4-fluoro-2-nitroanilino)-3-pyridin-2-ylpropan-1-ol has a molecular weight of 291.28 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluoro-2-nitroanilino)-3-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 99794888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).